3-[2-acetamido-4-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]phenyl]-3-phenyl-propanoic acid

Systemtic Name: 3-[2-acetamido-4-[2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl]phenyl]-3-phenyl-propanoic acid Openeye Name: 3-[2-acetamido-4-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]phenyl]-3-phenyl-propanoic acid CAS Name: 3-[2-acetamido-4-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]phenyl]-3-phenylpropanoic acid IUPAC Name: 3-[2-acetamido-4-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]phenyl]-3-phenylpropanoic acid Traditional Name: 3-[2-acetamido-4-[2-(o-toluidino)-1,3-benzoxazol-6-yl]phenyl]-3-phenyl-propionic acid Formula: C31H27N3O4 MolecularWeight: 505.56378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)C4=CC(=C(C=C4)C(CC(=O)O)C5=CC=CC=C5)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC3=C(O2)C=C(C=C3)C4=CC(=C(C=C4)C(CC(=O)O)C5=CC=CC=C5)NC(=O)C

InChI

InChI=1S/C31H27N3O4/c1-19-8-6-7-11-26(19)33-31-34-27-15-13-23(17-29(27)38-31)22-12-14-24(28(16-22)32-20(2)35)25(18-30(36)37)21-9-4-3-5-10-21/h3-17,25H,18H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)