methyl (1R,2S)-2-[(S)-[(4-bromophenyl)carbonylamino]-phenyl-methyl]-1-methyl-cyclopropane-1-carboxylate

Systemtic Name: methyl (1R,2S)-2-[(S)-[(4-bromophenyl)carbonylamino]-phenyl-methyl]-1-methyl-cyclopropane-1-carboxylate Openeye Name: methyl (1R,2S)-2-[(S)-[(4-bromobenzoyl)amino]-phenyl-methyl]-1-methyl-cyclopropanecarboxylate CAS Name: (1R,2S)-2-[(S)-[[(4-bromophenyl)-oxomethyl]amino]-phenylmethyl]-1-methyl-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S)-2-[(S)-[(4-bromobenzoyl)amino]-phenylmethyl]-1-methylcyclopropane-1-carboxylate Traditional Name: (1R,2S)-2-[(S)-[(4-bromobenzoyl)amino]-phenyl-methyl]-1-methyl-cyclopropanecarboxylic acid methyl ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

C[C@]1(C[C@@H]1[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C20H20BrNO3/c1-20(19(24)25-2)12-16(20)17(13-6-4-3-5-7-13)22-18(23)14-8-10-15(21)11-9-14/h3-11,16-17H,12H2,1-2H3,(H,22,23)/t16-,17-,20-/m1/s1