4-[4-[2-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]-1-pyridin-4-ylcarbonyl-pyrrolidine-3-carboxylic acid

Systemtic Name: 4-[4-[2-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]ethanoylamino]phenyl]-1-pyridin-4-ylcarbonyl-pyrrolidine-3-carboxylic acid Openeye Name: 4-[4-[[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid CAS Name: 4-[4-[[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]-1-oxoethyl]amino]phenyl]-1-[oxo(pyridin-4-yl)methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 4-[4-[[2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxylic acid Traditional Name: 1-isonicotinoyl-4-[4-[[2-[2-(o-toluidino)-1,3-benzoxazol-6-yl]acetyl]amino]phenyl]pyrrolidine-3-carboxylic acid Formula: C33H29N5O5 MolecularWeight: 575.61386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)NC4=CC=C(C=C4)C5CN(CC5C(=O)O)C(=O)C6=CC=NC=C6

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)CC(=O)NC4=CC=C(C=C4)C5CN(CC5C(=O)O)C(=O)C6=CC=NC=C6

InChI

InChI=1S/C33H29N5O5/c1-20-4-2-3-5-27(20)36-33-37-28-11-6-21(16-29(28)43-33)17-30(39)35-24-9-7-22(8-10-24)25-18-38(19-26(25)32(41)42)31(40)23-12-14-34-15-13-23/h2-16,25-26H,17-19H2,1H3,(H,35,39)(H,36,37)(H,41,42)