methyl 3-[(4Z,14Z)-8,12-diethyl-20-(2-methoxy-2-oxidanylidene-ethyl)-3,7,13,17-tetramethyl-10,20,22,24-tetrahydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[(4Z,14Z)-8,12-diethyl-20-(2-methoxy-2-oxidanylidene-ethyl)-3,7,13,17-tetramethyl-10,20,22,24-tetrahydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[(4Z,14Z)-8,12-diethyl-20-(2-methoxy-2-oxo-ethyl)-3,7,13,17-tetramethyl-10,20,22,24-tetrahydroporphyrin-2-yl]propanoate CAS Name: 3-[(4Z,14Z)-8,12-diethyl-20-(2-methoxy-2-oxoethyl)-3,7,13,17-tetramethyl-10,20,22,24-tetrahydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(4Z,14Z)-8,12-diethyl-20-(2-methoxy-2-oxoethyl)-3,7,13,17-tetramethyl-10,20,22,24-tetrahydroporphyrin-2-yl]propanoate Traditional Name: 3-[(4Z,14Z)-8,12-diethyl-20-(2-keto-2-methoxy-ethyl)-3,7,13,17-tetramethyl-10,20,22,24-tetrahydroporphin-2-yl]propionic acid methyl ester Formula: C35H42N4O4 MolecularWeight: 582.73238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC3=C(C=C(N3)C(C4=NC(=CC5=C(C(=C(N5)CC1=N2)CC)C)C(=C4CCC(=O)OC)C)CC(=O)OC)C)C

Isomeric SMILES

CCC1=C(/C/2=C/C3=C(C=C(N3)C(C4=N/C(=C\C5=C(C(=C(N5)CC1=N2)CC)C)/C(=C4CCC(=O)OC)C)CC(=O)OC)C)C

InChI

InChI=1S/C35H42N4O4/c1-9-22-19(4)27-15-26-18(3)13-30(36-26)25(14-34(41)43-8)35-24(11-12-33(40)42-7)21(6)29(39-35)16-28-20(5)23(10-2)32(38-28)17-31(22)37-27/h13,15-16,25,36,38H,9-12,14,17H2,1-8H3/b27-15-,29-16-