tert-butyl 5-cyano-3-[(1R,3R)-3-[methyl-(phenylmethyl)amino]cyclopentyl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-cyano-3-[(1R,3R)-3-[methyl-(phenylmethyl)amino]cyclopentyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1R,3R)-3-[benzyl(methyl)amino]cyclopentyl]-5-cyano-indole-1-carboxylate CAS Name: 5-cyano-3-[(1R,3R)-3-[methyl-(phenylmethyl)amino]cyclopentyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1R,3R)-3-[benzyl(methyl)amino]cyclopentyl]-5-cyanoindole-1-carboxylate Traditional Name: 3-[(1R,3R)-3-[benzyl(methyl)amino]cyclopentyl]-5-cyano-indole-1-carboxylic acid tert-butyl ester Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)C#N)C3CCC(C3)N(C)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=C1C=CC(=C2)C#N)[C@@H]3CC[C@H](C3)N(C)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-27(2,3)32-26(31)30-18-24(23-14-20(16-28)10-13-25(23)30)21-11-12-22(15-21)29(4)17-19-8-6-5-7-9-19/h5-10,13-14,18,21-22H,11-12,15,17H2,1-4H3/t21-,22-/m1/s1