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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)OC1=CC=C(C=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)38-27-14-11-25(12-15-27)30(35)32-28-21-26(31(36)37-5-2)13-16-29(28)34-19-17-33(18-20-34)22-24-9-7-6-8-10-24/h6-16,21,23H,4-5,17-20,22H2,1-3H3,(H,32,35)