4-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidine-1-carboxylic acid

Systemtic Name: 4-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)amino]-2-oxidanylidene-ethyl]-4-phenyl-piperidine-1-carboxylic acid Openeye Name: 4-[2-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-oxo-ethyl]-4-phenyl-piperidine-1-carboxylic acid CAS Name: 4-[2-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]-4-phenyl-1-piperidinecarboxylic acid IUPAC Name: 4-[2-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid Traditional Name: 4-[2-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-keto-ethyl]-4-phenyl-piperidine-1-carboxylic acid Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC(=O)NC2=NC3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1(CC(=O)NC2=NC3=C(O2)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H20ClN3O4/c22-15-6-7-17-16(12-15)23-19(29-17)24-18(26)13-21(14-4-2-1-3-5-14)8-10-25(11-9-21)20(27)28/h1-7,12H,8-11,13H2,(H,27,28)(H,23,24,26)