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

Systemtic Name: methyl 1-methanoyl-9-[(E)-2-methoxycarbonyl-3-(4-methylphenyl)prop-2-enyl]pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-formyl-9-[(E)-2-methoxycarbonyl-3-(p-tolyl)allyl]pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-formyl-9-[(E)-2-methoxycarbonyl-3-(4-methylphenyl)prop-2-enyl]-3-pyrido[3,4-b]indolecarboxylic acid methyl ester IUPAC Name: methyl 1-formyl-9-[(E)-2-methoxycarbonyl-3-(4-methylphenyl)prop-2-enyl]pyrido[3,4-b]indole-3-carboxylate Traditional Name: 9-[(E)-2-carbomethoxy-3-(p-tolyl)allyl]-1-formyl-$b-carboline-3-carboxylic acid methyl ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(CN2C3=CC=CC=C3C4=CC(=NC(=C42)C=O)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\CN2C3=CC=CC=C3C4=CC(=NC(=C42)C=O)C(=O)OC)/C(=O)OC

InChI

InChI=1S/C26H22N2O5/c1-16-8-10-17(11-9-16)12-18(25(30)32-2)14-28-23-7-5-4-6-19(23)20-13-21(26(31)33-3)27-22(15-29)24(20)28/h4-13,15H,14H2,1-3H3/b18-12+