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

Systemtic Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]benzoate CAS Name: 4-[[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]anilino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]benzoate Traditional Name: 4-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]benzoic acid ethyl ester Formula: C30H32N4O4 MolecularWeight: 512.59948

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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)N5CCCC5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)C(=O)N5CCCC5

InChI

InChI=1S/C30H32N4O4/c1-2-38-29(36)22-9-11-24(12-10-22)31-30(37)32-25-13-14-27(26(19-25)28(35)33-16-5-6-17-33)34-18-15-21-7-3-4-8-23(21)20-34/h3-4,7-14,19H,2,5-6,15-18,20H2,1H3,(H2,31,32,37)