ethyl 3-[(4-tert-butylphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-tert-butylphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-tert-butylbenzoyl)amino]benzoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-tert-butylbenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(4-tert-butylbenzoyl)amino]benzoic acid ethyl ester Formula: C31H37N3O3 MolecularWeight: 499.64378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H37N3O3/c1-5-37-30(36)25-13-16-28(34-19-17-33(18-20-34)22-23-9-7-6-8-10-23)27(21-25)32-29(35)24-11-14-26(15-12-24)31(2,3)4/h6-16,21H,5,17-20,22H2,1-4H3,(H,32,35)