3-methylbutyl 5-(4-ethoxyphenyl)carbonyl-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: 3-methylbutyl 5-(4-ethoxyphenyl)carbonyl-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: isopentyl 5-(4-ethoxybenzoyl)-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-ethoxyphenyl)-oxomethyl]-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-(4-ethoxybenzoyl)-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-ethoxybenzoyl)-6-ethyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid isoamyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=C(N2CCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C24H31NO4/c1-5-17-15-21-20(24(27)29-14-12-16(3)4)11-13-25(21)22(17)23(26)18-7-9-19(10-8-18)28-6-2/h7-10,15-16,20H,5-6,11-14H2,1-4H3