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

Systemtic Name: ethyl 4-[[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[3-[(cyclopropylamino)-oxomethyl]-4-(3,4-dihydro-1H-isoquinolin-2-yl)anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[3-(cyclopropylcarbamoyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)NC5CC5

InChI

InChI=1S/C29H30N4O4/c1-2-37-28(35)20-7-9-23(10-8-20)31-29(36)32-24-13-14-26(25(17-24)27(34)30-22-11-12-22)33-16-15-19-5-3-4-6-21(19)18-33/h3-10,13-14,17,22H,2,11-12,15-16,18H2,1H3,(H,30,34)(H2,31,32,36)