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

Systemtic Name: (3S)-3-[(3,4-dimethoxyphenyl)carbonylamino]-3-(4-propoxyphenyl)propanoic acid Openeye Name: (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid CAS Name: (3S)-3-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-3-(4-propoxyphenyl)propanoic acid IUPAC Name: (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid Traditional Name: (3S)-3-(4-propoxyphenyl)-3-(veratroylamino)propionic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-4-11-28-16-8-5-14(6-9-16)17(13-20(23)24)22-21(25)15-7-10-18(26-2)19(12-15)27-3/h5-10,12,17H,4,11,13H2,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1