3-phenylpropyl 5-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-[(4-tert-butylbenzoyl)amino]anilino]-5-oxo-pentanoate CAS Name: 5-[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-[(4-tert-butylbenzoyl)amino]anilino]-5-oxopentanoate Traditional Name: 5-[4-[(4-tert-butylbenzoyl)amino]anilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C31H36N2O4 MolecularWeight: 500.62854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C31H36N2O4/c1-31(2,3)25-16-14-24(15-17-25)30(36)33-27-20-18-26(19-21-27)32-28(34)12-7-13-29(35)37-22-8-11-23-9-5-4-6-10-23/h4-6,9-10,14-21H,7-8,11-13,22H2,1-3H3,(H,32,34)(H,33,36)