methyl 3-(12-butyl-18-ethyl-3,7,8,13,17-pentamethyl-21,24-dihydroporphyrin-2-yl)propanoate

Systemtic Name: methyl 3-(12-butyl-18-ethyl-3,7,8,13,17-pentamethyl-21,24-dihydroporphyrin-2-yl)propanoate Openeye Name: methyl 3-(12-butyl-18-ethyl-3,7,8,13,17-pentamethyl-21,24-dihydroporphyrin-2-yl)propanoate CAS Name: 3-(12-butyl-18-ethyl-3,7,8,13,17-pentamethyl-21,24-dihydroporphyrin-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(12-butyl-18-ethyl-3,7,8,13,17-pentamethyl-21,24-dihydroporphyrin-2-yl)propanoate Traditional Name: 3-(12-butyl-18-ethyl-3,7,8,13,17-pentamethyl-21,24-dihydroporphin-2-yl)propionic acid methyl ester Formula: C35H42N4O2 MolecularWeight: 550.73358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)CC)CCC(=O)OC)C)C(=C3C)C)C

Isomeric SMILES

CCCCC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C)CC)CCC(=O)OC)C)C(=C3C)C)C

InChI

InChI=1S/C35H42N4O2/c1-9-11-12-25-22(6)31-16-29-21(5)24(10-2)32(37-29)18-34-26(13-14-35(40)41-8)23(7)30(39-34)15-27-19(3)20(4)28(36-27)17-33(25)38-31/h15-18,37,39H,9-14H2,1-8H3