ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]carbamoylamino]ethanoate

Systemtic Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]carbamoylamino]ethanoate Openeye Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]carbamoylamino]acetate CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo-(phenethylamino)methyl]anilino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]carbamoylamino]acetate Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(phenethylcarbamoyl)phenyl]carbamoylamino]acetic acid ethyl ester Formula: C29H32N4O4 MolecularWeight: 500.58878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O4/c1-2-37-27(34)19-31-29(36)32-24-12-13-26(33-17-15-22-10-6-7-11-23(22)20-33)25(18-24)28(35)30-16-14-21-8-4-3-5-9-21/h3-13,18H,2,14-17,19-20H2,1H3,(H,30,35)(H2,31,32,36)