ethyl 3-[(3-butan-2-yloxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(3-butan-2-yloxyphenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(3-sec-butoxybenzoyl)amino]benzoate CAS Name: 3-[[(3-butan-2-yloxyphenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(3-butan-2-yloxybenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(3-sec-butoxybenzoyl)amino]benzoic acid ethyl ester Formula: C31H37N3O4 MolecularWeight: 515.64318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C31H37N3O4/c1-4-23(3)38-27-13-9-12-25(20-27)30(35)32-28-21-26(31(36)37-5-2)14-15-29(28)34-18-16-33(17-19-34)22-24-10-7-6-8-11-24/h6-15,20-21,23H,4-5,16-19,22H2,1-3H3,(H,32,35)