[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C25H28N2O4/c1-3-4-7-19-10-12-21(13-11-19)26-24(29)17-31-25(30)16-23-22-9-6-5-8-20(22)14-15-27(23)18(2)28/h5-6,8-15,23H,3-4,7,16-17H2,1-2H3,(H,26,29)/t23-/m1/s1