methyl 4-methyl-3-[3-(phenylcarbamoylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(phenylcarbamoylamino)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(phenylcarbamoylamino)propanoylamino]benzoate CAS Name: 3-[[3-[[anilino(oxo)methyl]amino]-1-oxopropyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(phenylcarbamoylamino)propanoylamino]benzoate Traditional Name: 4-methyl-3-[3-(phenylcarbamoylamino)propanoylamino]benzoic acid methyl ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O4/c1-13-8-9-14(18(24)26-2)12-16(13)22-17(23)10-11-20-19(25)21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,22,23)(H2,20,21,25)