(3S)-3-[(4-methoxy-3-nitro-phenyl)carbonylamino]-3-(4-propoxyphenyl)propanoic acid

Systemtic Name: (3S)-3-[(4-methoxy-3-nitro-phenyl)carbonylamino]-3-(4-propoxyphenyl)propanoic acid Openeye Name: (3S)-3-[(4-methoxy-3-nitro-benzoyl)amino]-3-(4-propoxyphenyl)propanoic acid CAS Name: (3S)-3-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-3-(4-propoxyphenyl)propanoic acid IUPAC Name: (3S)-3-[(4-methoxy-3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid Traditional Name: (3S)-3-[(4-methoxy-3-nitro-benzoyl)amino]-3-(4-propoxyphenyl)propionic acid Formula: C20H22N2O7 MolecularWeight: 402.39788

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-3-10-29-15-7-4-13(5-8-15)16(12-19(23)24)21-20(25)14-6-9-18(28-2)17(11-14)22(26)27/h4-9,11,16H,3,10,12H2,1-2H3,(H,21,25)(H,23,24)/t16-/m0/s1