ethyl 1-[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[3-(azepan-1-yl)propylamino]-2-oxidanylidene-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[3-(azepan-1-yl)propylamino]-2-oxo-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-[3-(1-azepanyl)propylamino]-2-oxoethyl]-2,4-dimethyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(azepan-1-yl)propylamino]-2-oxoethyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-[3-(azepan-1-yl)propylamino]-2-keto-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C26H37N3O3 MolecularWeight: 439.59028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NCCCN3CCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NCCCN3CCCCCC3)C

InChI

InChI=1S/C26H37N3O3/c1-4-32-26(31)24-20(2)25(22-13-8-7-9-14-22)29(21(24)3)19-23(30)27-15-12-18-28-16-10-5-6-11-17-28/h7-9,13-14H,4-6,10-12,15-19H2,1-3H3,(H,27,30)