2-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzoic acid; 4-(phenylmethyl)piperidine

Systemtic Name: 2-ethoxy-4-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzoic acid; 4-(phenylmethyl)piperidine Openeye Name: 4-[2-(benzylamino)-2-oxo-ethyl]-2-ethoxy-benzoic acid; 4-benzylpiperidine CAS Name: 2-ethoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethyl]benzoic acid; 4-(phenylmethyl)piperidine IUPAC Name: 4-[2-(benzylamino)-2-oxoethyl]-2-ethoxybenzoic acid; 4-benzylpiperidine Traditional Name: 4-[2-(benzylamino)-2-keto-ethyl]-2-ethoxy-benzoic acid; 4-benzylpiperidine Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NCC2=CC=CC=C2)C(=O)O.C1CNCCC1CC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NCC2=CC=CC=C2)C(=O)O.C1CNCCC1CC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4.C12H17N/c1-2-23-16-10-14(8-9-15(16)18(21)22)11-17(20)19-12-13-6-4-3-5-7-13;1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h3-10H,2,11-12H2,1H3,(H,19,20)(H,21,22);1-5,12-13H,6-10H2