methyl 5-[[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[4-(2-amino-2-oxo-ethyl)phenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(2-amino-2-oxoethyl)anilino]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-amino-2-oxoethyl)phenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[4-(2-amino-2-keto-ethyl)phenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)CC(=O)N)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)CC(=O)N)C)C(=O)OC

InChI

InChI=1S/C18H21N3O4/c1-4-13-15(18(24)25-3)10(2)16(21-13)17(23)20-12-7-5-11(6-8-12)9-14(19)22/h5-8,21H,4,9H2,1-3H3,(H2,19,22)(H,20,23)