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

Systemtic Name: 3-methylbutyl 5-(4-ethynylphenyl)carbonyl-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: isopentyl 5-(4-ethynylbenzoyl)-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-ethynylphenyl)-oxomethyl]-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-(4-ethynylbenzoyl)-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-ethynylbenzoyl)-6-propyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid isoamyl ester Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2CCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=C(C=C3)C#C

Isomeric SMILES

CCCC1=C(N2CCC(C2=C1)C(=O)OCCC(C)C)C(=O)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C25H29NO3/c1-5-7-20-16-22-21(25(28)29-15-13-17(3)4)12-14-26(22)23(20)24(27)19-10-8-18(6-2)9-11-19/h2,8-11,16-17,21H,5,7,12-15H2,1,3-4H3