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

Systemtic Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(phenethylamino)methyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)anilino]-4-keto-butyric acid ethyl ester Formula: C30H33N3O4 MolecularWeight: 499.60072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O4/c1-2-37-29(35)15-14-28(34)32-25-12-13-27(33-19-17-23-10-6-7-11-24(23)21-33)26(20-25)30(36)31-18-16-22-8-4-3-5-9-22/h3-13,20H,2,14-19,21H2,1H3,(H,31,36)(H,32,34)