[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-pentoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-pentoxybenzoate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO4/c1-3-4-8-15-26-20-13-11-19(12-14-20)22(25)27-16-21(24)23-17(2)18-9-6-5-7-10-18/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3,(H,23,24)/t17-/m0/s1