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

Systemtic Name: 4-[[[4-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-4-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[4-[2-[4-(2-hydroxyethyl)-1-piperidyl]-4-methyl-7-oxo-pyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[4-[2-[4-(2-hydroxyethyl)-1-piperidinyl]-4-methyl-7-oxo-8-pyrido[2,3-d]pyrimidinyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-[2-[4-(2-hydroxyethyl)piperidino]-7-keto-4-methyl-pyrido[2,3-d]pyrimidin-8-yl]benzoyl]amino]methyl]benzoic acid Formula: C30H31N5O5 MolecularWeight: 541.59764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCC(CC3)CCO)C4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C2C=CC(=O)N(C2=NC(=N1)N3CCC(CC3)CCO)C4=CC=C(C=C4)C(=O)NCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C30H31N5O5/c1-19-25-10-11-26(37)35(27(25)33-30(32-19)34-15-12-20(13-16-34)14-17-36)24-8-6-22(7-9-24)28(38)31-18-21-2-4-23(5-3-21)29(39)40/h2-11,20,36H,12-18H2,1H3,(H,31,38)(H,39,40)