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

Systemtic Name: octyl 6-butyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C#C)CCCC

Isomeric SMILES

CCCCCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C#C)CCCC

InChI

InChI=1S/C29H37NO3/c1-4-7-9-10-11-12-20-33-29(32)25-18-19-30-26(25)21-24(13-8-5-2)27(30)28(31)23-16-14-22(6-3)15-17-23/h3,14-17,21,25H,4-5,7-13,18-20H2,1-2H3