propyl 6-butyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: propyl 6-butyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: propyl 6-butyl-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-butyl-5-[(4-ethynylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid propyl ester IUPAC Name: propyl 6-butyl-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-butyl-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid propyl ester Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2CCC(C2=C1)C(=O)OCCC)C(=O)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCCCC1=C(N2CCC(C2=C1)C(=O)OCCC)C(=O)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C24H27NO3/c1-4-7-8-19-16-21-20(24(27)28-15-5-2)13-14-25(21)22(19)23(26)18-11-9-17(6-3)10-12-18/h3,9-12,16,20H,4-5,7-8,13-15H2,1-2H3