ethyl 5-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(1,3-benzoxazol-2-yl)anilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C23H21N3O4/c1-4-29-23(28)19-13(2)20(24-14(19)3)21(27)25-16-11-9-15(10-12-16)22-26-17-7-5-6-8-18(17)30-22/h5-12,24H,4H2,1-3H3,(H,25,27)