[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-[(aminocarbonylamino)methyl]benzoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-[(aminocarbonylamino)methyl]benzoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(ureidomethyl)benzoate CAS Name: 4-[(carbamoylamino)methyl]benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate Traditional Name: 4-(ureidomethyl)benzoic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC=C(C=C3)CNC(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)C3=CC=C(C=C3)CNC(=O)N

InChI

InChI=1S/C20H23N3O4/c1-12-9-17(13(2)23(12)16-7-8-16)18(24)11-27-19(25)15-5-3-14(4-6-15)10-22-20(21)26/h3-6,9,16H,7-8,10-11H2,1-2H3,(H3,21,22,26)