methyl 1-methanoyl-9-[(E)-2-methoxycarbonyl-3-phenyl-prop-2-enyl]pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-methanoyl-9-[(E)-2-methoxycarbonyl-3-phenyl-prop-2-enyl]pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-formyl-9-[(E)-2-methoxycarbonyl-3-phenyl-allyl]pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-formyl-9-[(E)-2-methoxycarbonyl-3-phenylprop-2-enyl]-3-pyrido[3,4-b]indolecarboxylic acid methyl ester IUPAC Name: methyl 1-formyl-9-[(E)-2-methoxycarbonyl-3-phenylprop-2-enyl]pyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-[(E)-2-carbomethoxy-3-phenyl-allyl]-1-formyl-$b-carboline-3-carboxylic acid methyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2CC(=CC4=CC=CC=C4)C(=O)OC)C=O

Isomeric SMILES

COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2C/C(=C\C4=CC=CC=C4)/C(=O)OC)C=O

InChI

InChI=1S/C25H20N2O5/c1-31-24(29)17(12-16-8-4-3-5-9-16)14-27-22-11-7-6-10-18(22)19-13-20(25(30)32-2)26-21(15-28)23(19)27/h3-13,15H,14H2,1-2H3/b17-12+