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

Systemtic Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxolan-2-ylmethylcarbamoyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(tetrahydrofuran-2-ylmethylcarbamoyl)anilino]-4-oxo-butanoate CAS Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(oxolan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(tetrahydrofurfurylcarbamoyl)anilino]-4-keto-butyric acid ethyl ester Formula: C27H33N3O5 MolecularWeight: 479.56802

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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)NCC4CCCO4

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCC4CCCO4

InChI

InChI=1S/C27H33N3O5/c1-2-34-26(32)12-11-25(31)29-21-9-10-24(30-14-13-19-6-3-4-7-20(19)18-30)23(16-21)27(33)28-17-22-8-5-15-35-22/h3-4,6-7,9-10,16,22H,2,5,8,11-15,17-18H2,1H3,(H,28,33)(H,29,31)