methyl 3-[8-[(E)-1-chloranyl-3-oxidanylidene-prop-1-enyl]-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[8-[(E)-1-chloranyl-3-oxidanylidene-prop-1-enyl]-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[8-[(E)-1-chloro-3-oxo-prop-1-enyl]-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[8-[(E)-1-chloro-3-oxoprop-1-enyl]-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[8-[(E)-1-chloro-3-oxoprop-1-enyl]-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-[8-[(E)-1-chloro-3-keto-prop-1-enyl]-18-(3-keto-3-methoxy-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphin-2-yl]propionic acid methyl ester Formula: C35H35ClN4O5 MolecularWeight: 627.1292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(=CC=O)Cl)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC

Isomeric SMILES

CC1=CC2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)/C(=C\C=O)/Cl)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC

InChI

InChI=1S/C35H35ClN4O5/c1-18-13-22-14-27-19(2)23(7-9-33(42)44-5)30(38-27)17-31-24(8-10-34(43)45-6)20(3)28(39-31)16-29-21(4)35(25(36)11-12-41)32(40-29)15-26(18)37-22/h11-17,37,40H,7-10H2,1-6H3/b22-14?,25-11+,26-15?,27-14?,28-16?,29-16?,30-17?,31-17?,32-15?