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

Systemtic Name: octyl 5-(4-ethynylphenyl)carbonyl-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: octyl 5-(4-ethynylbenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-ethynylphenyl)-oxomethyl]-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid octyl ester IUPAC Name: octyl 5-(4-ethynylbenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-ethynylbenzoyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid octyl ester Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO3/c1-4-6-7-8-9-10-17-30-26(29)22-15-16-27-23(22)18-19(3)24(27)25(28)21-13-11-20(5-2)12-14-21/h2,11-14,18,22H,4,6-10,15-17H2,1,3H3