methyl (5R,7S)-4-deuterio-5-ethyl-3-(phenylmethyl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate

Systemtic Name: methyl (5R,7S)-4-deuterio-5-ethyl-3-(phenylmethyl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate Openeye Name: methyl (5R,7S)-3-benzyl-4-deuterio-5-ethyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate CAS Name: (5R,7S)-4-deuterio-5-ethyl-3-(phenylmethyl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylic acid methyl ester IUPAC Name: methyl (5R,7S)-3-benzyl-4-deuterio-5-ethyl-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate Traditional Name: (5R,7S)-3-benzyl-4-deuterio-5-ethyl-2,4,5,6,7,8-hexahydro-1H-azonin[5,4-b]indole-7-carboxylic acid methyl ester Formula: C25H30N2O2 MolecularWeight: 391.524062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(CCN(C1)CC3=CC=CC=C3)C4=CC=CC=C4N2)C(=O)OC

Isomeric SMILES

[2H]C1[C@@H](C[C@@H](C2=C(CCN1CC3=CC=CC=C3)C4=CC=CC=C4N2)C(=O)OC)CC

InChI

InChI=1S/C25H30N2O2/c1-3-18-15-22(25(28)29-2)24-21(20-11-7-8-12-23(20)26-24)13-14-27(16-18)17-19-9-5-4-6-10-19/h4-12,18,22,26H,3,13-17H2,1-2H3/t18-,22+/m1/s1/i16D/t16?,18-,22+