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

Systemtic Name: (3S)-3-[(4-ethoxyphenyl)carbonylamino]-3-(4-propoxyphenyl)propanoic acid Openeye Name: (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid CAS Name: (3S)-3-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-(4-propoxyphenyl)propanoic acid IUPAC Name: (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid Traditional Name: (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-propoxyphenyl)propionic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-3-13-27-18-9-5-15(6-10-18)19(14-20(23)24)22-21(25)16-7-11-17(12-8-16)26-4-2/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1