4-[[[4-[4-methyl-7-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[4-methyl-7-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-8-yl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-[2-(4-benzylpiperazin-1-yl)-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-[4-methyl-7-oxo-2-[4-(phenylmethyl)-1-piperazinyl]-8-pyrido[2,3-d]pyrimidinyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[2-(4-benzylpiperazin-1-yl)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-[2-(4-benzylpiperazino)-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid Formula: C34H32N6O4 MolecularWeight: 588.65568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)NCC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)C(=O)NCC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C34H32N6O4/c1-23-29-15-16-30(41)40(28-13-11-26(12-14-28)32(42)35-21-24-7-9-27(10-8-24)33(43)44)31(29)37-34(36-23)39-19-17-38(18-20-39)22-25-5-3-2-4-6-25/h2-16H,17-22H2,1H3,(H,35,42)(H,43,44)