[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(aminocarbonylamino)methyl]benzoate

Systemtic Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxidanylidene-propan-2-yl] 4-[(aminocarbonylamino)methyl]benzoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-1-methyl-2-oxo-ethyl] 4-(ureidomethyl)benzoate CAS Name: 4-[(carbamoylamino)methyl]benzoic acid [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-[(carbamoylamino)methyl]benzoate Traditional Name: 4-(ureidomethyl)benzoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)CNC(=O)N

Isomeric SMILES

CC(C(=O)N1CCCC2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)CNC(=O)N

InChI

InChI=1S/C21H23N3O4/c1-14(19(25)24-12-4-6-16-5-2-3-7-18(16)24)28-20(26)17-10-8-15(9-11-17)13-23-21(22)27/h2-3,5,7-11,14H,4,6,12-13H2,1H3,(H3,22,23,27)