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

Systemtic Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(propan-2-ylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(isopropylcarbamoyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(propan-2-ylamino)methyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(propan-2-ylcarbamoyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(isopropylcarbamoyl)anilino]-4-keto-butyric acid ethyl ester Formula: C25H31N3O4 MolecularWeight: 437.53134

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-4-32-24(30)12-11-23(29)27-20-9-10-22(21(15-20)25(31)26-17(2)3)28-14-13-18-7-5-6-8-19(18)16-28/h5-10,15,17H,4,11-14,16H2,1-3H3,(H,26,31)(H,27,29)