(3S)-3-[(3-bromophenyl)carbonylamino]-3-(3-methoxy-4-propoxy-phenyl)propanoate

Systemtic Name: (3S)-3-[(3-bromophenyl)carbonylamino]-3-(3-methoxy-4-propoxy-phenyl)propanoate Openeye Name: (3S)-3-[(3-bromobenzoyl)amino]-3-(3-methoxy-4-propoxy-phenyl)propanoate CAS Name: (3S)-3-[[(3-bromophenyl)-oxomethyl]amino]-3-(3-methoxy-4-propoxyphenyl)propanoate IUPAC Name: (3S)-3-[(3-bromobenzoyl)amino]-3-(3-methoxy-4-propoxyphenyl)propanoate Traditional Name: (3S)-3-[(3-bromobenzoyl)amino]-3-(3-methoxy-4-propoxy-phenyl)propionate Formula: C20H21BrNO5- MolecularWeight: 435.28844

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC(=CC=C2)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO5/c1-3-9-27-17-8-7-13(11-18(17)26-2)16(12-19(23)24)22-20(25)14-5-4-6-15(21)10-14/h4-8,10-11,16H,3,9,12H2,1-2H3,(H,22,25)(H,23,24)/p-1/t16-/m0/s1