(3S)-1-[2-[4-(cyclopropylcarbonylamino)phenyl]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[4-(cyclopropylcarbonylamino)phenyl]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-[4-(cyclopropanecarbonylamino)phenyl]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-[4-(cyclopropanecarbonylamino)phenyl]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-[4-(cyclopropanecarbonylamino)phenyl]-2-keto-ethyl]nipecotic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CC(=O)C2=CC=C(C=C2)NC(=O)C3CC3)C(=O)O

InChI

InChI=1S/C18H22N2O4/c21-16(11-20-9-1-2-14(10-20)18(23)24)12-5-7-15(8-6-12)19-17(22)13-3-4-13/h5-8,13-14H,1-4,9-11H2,(H,19,22)(H,23,24)/t14-/m0/s1