ethyl 4-[[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)anilino]-4-oxo-butanoate CAS Name: 4-[3-[(cyclopropylamino)-oxomethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)anilino]-4-oxobutanoate Traditional Name: 4-[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)anilino]-4-keto-butyric acid ethyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CC4

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NC4CC4

InChI

InChI=1S/C25H29N3O4/c1-2-32-24(30)12-11-23(29)26-20-9-10-22(21(15-20)25(31)27-19-7-8-19)28-14-13-17-5-3-4-6-18(17)16-28/h3-6,9-10,15,19H,2,7-8,11-14,16H2,1H3,(H,26,29)(H,27,31)