4-(2,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 4-(2,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-4-(2,4-dimethylphenyl)pentanoic acid CAS Name: 4-(2,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 4-(2,4-dimethylphenyl)-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-4-(2,4-dimethylphenyl)valeric acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO4/c1-14-9-10-18(15(2)11-14)16(3)12-19(20(23)24)22-21(25)26-13-17-7-5-4-6-8-17/h4-11,16,19H,12-13H2,1-3H3,(H,22,25)(H,23,24)