methyl 3-[13-ethyl-8-(hydroxymethyl)-18-methanoyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate

Systemtic Name: methyl 3-[13-ethyl-8-(hydroxymethyl)-18-methanoyl-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate Openeye Name: methyl 3-[13-ethyl-18-formyl-8-(hydroxymethyl)-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate CAS Name: 3-[13-ethyl-18-formyl-8-(hydroxymethyl)-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[13-ethyl-18-formyl-8-(hydroxymethyl)-3,7,12,17-tetramethyl-23,24-dihydroporphyrin-2-yl]propanoate Traditional Name: 3-(13-ethyl-18-formyl-3,7,12,17-tetramethyl-8-methylol-23,24-dihydroporphin-2-yl)propionic acid methyl ester Formula: C32H34N4O4 MolecularWeight: 538.63676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CO)C(=C4CCC(=O)OC)C)N3)C=O)C

Isomeric SMILES

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2)C(=C5C)CO)C(=C4CCC(=O)OC)C)N3)C=O)C

InChI

InChI=1S/C32H34N4O4/c1-7-20-16(2)26-12-30-22(14-37)18(4)25(35-30)10-24-17(3)21(8-9-32(39)40-6)29(34-24)13-31-23(15-38)19(5)27(36-31)11-28(20)33-26/h10-13,15,33,36-37H,7-9,14H2,1-6H3