methyl 1-(4-heptoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-(4-heptoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(4-heptoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-[4-[heptoxy(oxo)methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-heptoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(4-heptoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC=C(C=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3

Isomeric SMILES

CCCCCCCOC(=O)C1=CC=C(C=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3

InChI

InChI=1S/C27H32N2O4/c1-3-4-5-6-9-16-33-26(30)19-14-12-18(13-15-19)24-25-21(17-23(29-24)27(31)32-2)20-10-7-8-11-22(20)28-25/h7-8,10-15,23-24,28-29H,3-6,9,16-17H2,1-2H3