methyl 2-[(R)-(4-bromophenyl)-(cyclopropylmethylcarbamoylamino)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(R)-(4-bromophenyl)-(cyclopropylmethylcarbamoylamino)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[(R)-(4-bromophenyl)-(cyclopropylmethylcarbamoylamino)methyl]-3-oxo-butanoate CAS Name: 2-[(R)-(4-bromophenyl)-[[(cyclopropylmethylamino)-oxomethyl]amino]methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[(R)-(4-bromophenyl)-(cyclopropylmethylcarbamoylamino)methyl]-3-oxobutanoate Traditional Name: 2-[(R)-(4-bromophenyl)-(cyclopropylmethylcarbamoylamino)methyl]-3-keto-butyric acid methyl ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=C(C=C1)Br)NC(=O)NCC2CC2)C(=O)OC

Isomeric SMILES

CC(=O)C([C@H](C1=CC=C(C=C1)Br)NC(=O)NCC2CC2)C(=O)OC

InChI

InChI=1S/C17H21BrN2O4/c1-10(21)14(16(22)24-2)15(12-5-7-13(18)8-6-12)20-17(23)19-9-11-3-4-11/h5-8,11,14-15H,3-4,9H2,1-2H3,(H2,19,20,23)/t14?,15-/m0/s1