methyl (5R,7S)-4-deuterio-5-(3-methoxy-3-oxidanylidene-propyl)-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-(3-methoxy-3-oxidanylidene-propyl)-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-(3-methoxy-3-oxo-propyl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate CAS Name: (5R,7S)-4-deuterio-5-(3-methoxy-3-oxopropyl)-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-(3-methoxy-3-oxopropyl)-2,4,5,6,7,8-hexahydro-1H-azonino[5,4-b]indole-7-carboxylate Traditional Name: (5R,7S)-3-benzyl-4-deuterio-5-(3-keto-3-methoxy-propyl)-2,4,5,6,7,8-hexahydro-1H-azonin[5,4-b]indole-7-carboxylic acid methyl ester Formula: C27H32N2O4 MolecularWeight: 449.560142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)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)CCC(=O)OC

InChI

InChI=1S/C27H32N2O4/c1-32-25(30)13-12-20-16-23(27(31)33-2)26-22(21-10-6-7-11-24(21)28-26)14-15-29(18-20)17-19-8-4-3-5-9-19/h3-11,20,23,28H,12-18H2,1-2H3/t20-,23+/m1/s1/i18D/t18?,20-,23+