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

Systemtic Name: methyl 1-(3-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(3-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(3-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-butoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(3-butoxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3

InChI

InChI=1S/C23H26N2O3/c1-3-4-12-28-16-9-7-8-15(13-16)21-22-18(14-20(25-21)23(26)27-2)17-10-5-6-11-19(17)24-22/h5-11,13,20-21,24-25H,3-4,12,14H2,1-2H3