(3R)-1-[(1S)-2-(azepan-1-yl)-1-phenyl-ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: (3R)-1-[(1S)-2-(azepan-1-yl)-1-phenyl-ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: (3R)-1-[(1S)-2-(azepan-1-yl)-1-phenyl-ethyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: (3R)-1-[(1S)-2-(1-azepanyl)-1-phenylethyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: (3R)-1-[(1S)-2-(azepan-1-yl)-1-phenylethyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: (3R)-1-[(1S)-2-(azepan-1-yl)-1-phenyl-ethyl]-5-keto-pyrrolidine-3-carboxylic acid Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(C2=CC=CC=C2)N3CC(CC3=O)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C[C@H](C2=CC=CC=C2)N3C[C@@H](CC3=O)C(=O)O

InChI

InChI=1S/C19H26N2O3/c22-18-12-16(19(23)24)13-21(18)17(15-8-4-3-5-9-15)14-20-10-6-1-2-7-11-20/h3-5,8-9,16-17H,1-2,6-7,10-14H2,(H,23,24)/t16-,17-/m1/s1