(3S)-3-[(3,4-dimethylphenyl)carbonylamino]-3-(4-propoxyphenyl)propanoic acid

Systemtic Name: (3S)-3-[(3,4-dimethylphenyl)carbonylamino]-3-(4-propoxyphenyl)propanoic acid Openeye Name: (3S)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid CAS Name: (3S)-3-[[(3,4-dimethylphenyl)-oxomethyl]amino]-3-(4-propoxyphenyl)propanoic acid IUPAC Name: (3S)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid Traditional Name: (3S)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propionic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25NO4/c1-4-11-26-18-9-7-16(8-10-18)19(13-20(23)24)22-21(25)17-6-5-14(2)15(3)12-17/h5-10,12,19H,4,11,13H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1