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

Systemtic Name: nonyl 6-chloranyl-5-(4-ethynylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: nonyl 6-chloro-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-chloro-5-[(4-ethynylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid nonyl ester IUPAC Name: nonyl 6-chloro-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-chloro-5-(4-ethynylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid nonyl ester Formula: C26H30ClNO3 MolecularWeight: 439.9743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C#C)Cl

Isomeric SMILES

CCCCCCCCCOC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C#C)Cl

InChI

InChI=1S/C26H30ClNO3/c1-3-5-6-7-8-9-10-17-31-26(30)21-15-16-28-23(21)18-22(27)24(28)25(29)20-13-11-19(4-2)12-14-20/h2,11-14,18,21H,3,5-10,15-17H2,1H3