4-[1-azanyl-1-oxidanylidene-3-[2-[4-(phenylmethyl)piperazin-1-yl]phenyl]butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-[2-[4-(phenylmethyl)piperazin-1-yl]phenyl]butan-2-yl]benzoic acid Openeye Name: 4-[2-[2-(4-benzylpiperazin-1-yl)phenyl]-1-carbamoyl-propyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[2-[4-(phenylmethyl)-1-piperazinyl]phenyl]butan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[2-(4-benzylpiperazin-1-yl)phenyl]-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[2-[2-(4-benzylpiperazino)phenyl]-1-carbamoyl-propyl]benzoic acid Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1N2CCN(CC2)CC3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1N2CCN(CC2)CC3=CC=CC=C3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C28H31N3O3/c1-20(26(27(29)32)22-11-13-23(14-12-22)28(33)34)24-9-5-6-10-25(24)31-17-15-30(16-18-31)19-21-7-3-2-4-8-21/h2-14,20,26H,15-19H2,1H3,(H2,29,32)(H,33,34)