ethyl 2-methyl-1-[4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-[4-oxidanylidene-4-[(phenylmethyl)amino]butyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[4-(benzylamino)-4-oxo-butyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 2-methyl-1-[4-oxo-4-[(phenylmethyl)amino]butyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(benzylamino)-4-oxobutyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[4-(benzylamino)-4-keto-butyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C25H28N2O3/c1-3-30-25(29)22-17-23(21-13-8-5-9-14-21)27(19(22)2)16-10-15-24(28)26-18-20-11-6-4-7-12-20/h4-9,11-14,17H,3,10,15-16,18H2,1-2H3,(H,26,28)