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

Systemtic Name: butyl 4-[[1-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O4/c1-2-3-19-36-29(35)23-11-13-24(14-12-23)30-28(34)22-15-17-32(18-16-22)20-27(33)31-26-10-6-8-21-7-4-5-9-25(21)26/h4-14,22H,2-3,15-20H2,1H3,(H,30,34)(H,31,33)