methyl 3-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[(1R)-1-(4-bromophenyl)propyl]amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H23BrN2O3 MolecularWeight: 419.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)NCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)NCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C20H23BrN2O3/c1-4-17(14-7-9-16(21)10-8-14)22-12-19(24)23-18-11-15(20(25)26-3)6-5-13(18)2/h5-11,17,22H,4,12H2,1-3H3,(H,23,24)/t17-/m1/s1