methyl 4-methyl-3-[2-[[(S)-(4-methylphenyl)-phenyl-methyl]amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[[(S)-(4-methylphenyl)-phenyl-methyl]amino]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[[(S)-phenyl(p-tolyl)methyl]amino]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[[(S)-phenyl(p-tolyl)methyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)NCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C25H26N2O3/c1-17-9-12-20(13-10-17)24(19-7-5-4-6-8-19)26-16-23(28)27-22-15-21(25(29)30-3)14-11-18(22)2/h4-15,24,26H,16H2,1-3H3,(H,27,28)/t24-/m0/s1