methyl (1R,3S)-1-ethyl-9-methyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl (1R,3S)-1-ethyl-9-methyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl (1R,3S)-2-benzyl-1-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: (1R,3S)-1-ethyl-9-methyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-2-benzyl-1-ethyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: (1R,3S)-2-benzyl-1-ethyl-9-methyl-3,4-dihydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CC(N1CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4N2C

Isomeric SMILES

CC[C@@H]1C2=C(C[C@H](N1CC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4N2C

InChI

InChI=1S/C23H26N2O2/c1-4-19-22-18(17-12-8-9-13-20(17)24(22)2)14-21(23(26)27-3)25(19)15-16-10-6-5-7-11-16/h5-13,19,21H,4,14-15H2,1-3H3/t19-,21+/m1/s1