4-[1-azanyl-3-(5-benzamido-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(5-benzamido-2-piperidin-1-yl-phenyl)-1-oxidanylidene-butan-2-yl]benzoic acid Openeye Name: 4-[2-[5-benzamido-2-(1-piperidyl)phenyl]-1-carbamoyl-propyl]benzoic acid CAS Name: 4-[1-amino-3-[5-benzamido-2-(1-piperidinyl)phenyl]-1-oxobutan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(5-benzamido-2-piperidin-1-ylphenyl)-1-oxobutan-2-yl]benzoic acid Traditional Name: 4-[2-(5-benzamido-2-piperidino-phenyl)-1-carbamoyl-propyl]benzoic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)N3CCCCC3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2)N3CCCCC3)C(C4=CC=C(C=C4)C(=O)O)C(=O)N

InChI

InChI=1S/C29H31N3O4/c1-19(26(27(30)33)20-10-12-22(13-11-20)29(35)36)24-18-23(31-28(34)21-8-4-2-5-9-21)14-15-25(24)32-16-6-3-7-17-32/h2,4-5,8-15,18-19,26H,3,6-7,16-17H2,1H3,(H2,30,33)(H,31,34)(H,35,36)