methyl 2-[4-[(4-pentylphenyl)carbonylamino]cyclopent-2-en-1-yl]-2-phenyl-ethanoate

Systemtic Name: methyl 2-[4-[(4-pentylphenyl)carbonylamino]cyclopent-2-en-1-yl]-2-phenyl-ethanoate Openeye Name: methyl 2-[4-[(4-pentylbenzoyl)amino]cyclopent-2-en-1-yl]-2-phenyl-acetate CAS Name: 2-[4-[[oxo-(4-pentylphenyl)methyl]amino]-1-cyclopent-2-enyl]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-pentylbenzoyl)amino]cyclopent-2-en-1-yl]-2-phenylacetate Traditional Name: 2-[4-[(4-amylbenzoyl)amino]cyclopent-2-en-1-yl]-2-phenyl-acetic acid methyl ester Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2CC(C=C2)C(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2CC(C=C2)C(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H31NO3/c1-3-4-6-9-19-12-14-21(15-13-19)25(28)27-23-17-16-22(18-23)24(26(29)30-2)20-10-7-5-8-11-20/h5,7-8,10-17,22-24H,3-4,6,9,18H2,1-2H3,(H,27,28)