3-chloranyl-4-[1-(phenylmethoxycarbonylamino)ethyl]benzoic acid

Systemtic Name: 3-chloranyl-4-[1-(phenylmethoxycarbonylamino)ethyl]benzoic acid Openeye Name: 4-[1-(benzyloxycarbonylamino)ethyl]-3-chloro-benzoic acid CAS Name: 3-chloro-4-[1-(phenylmethoxycarbonylamino)ethyl]benzoic acid IUPAC Name: 3-chloro-4-[1-(phenylmethoxycarbonylamino)ethyl]benzoic acid Traditional Name: 4-[1-(benzyloxycarbonylamino)ethyl]-3-chloro-benzoic acid Formula: C17H16ClNO4 MolecularWeight: 333.76624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C(C=C1)C(=O)O)Cl)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C1=C(C=C(C=C1)C(=O)O)Cl)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16ClNO4/c1-11(14-8-7-13(16(20)21)9-15(14)18)19-17(22)23-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,19,22)(H,20,21)