methyl 4-[[1-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[2-(1-naphthylamino)-2-oxo-ethyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-[2-(1-naphthalenylamino)-2-oxoethyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[2-keto-2-(1-naphthylamino)ethyl]isonipecotoyl]amino]benzoic acid methyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H27N3O4/c1-33-26(32)20-9-11-21(12-10-20)27-25(31)19-13-15-29(16-14-19)17-24(30)28-23-8-4-6-18-5-2-3-7-22(18)23/h2-12,19H,13-17H2,1H3,(H,27,31)(H,28,30)