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

Systemtic Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]carbamoylamino]ethanoate Openeye Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]acetate CAS Name: 2-[[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[oxo(1-pyrrolidinyl)methyl]anilino]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]acetate Traditional Name: 2-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]carbamoylamino]acetic acid ethyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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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)N4CCCC4

Isomeric SMILES

CCOC(=O)CNC(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)N4CCCC4

InChI

InChI=1S/C25H30N4O4/c1-2-33-23(30)16-26-25(32)27-20-9-10-22(21(15-20)24(31)28-12-5-6-13-28)29-14-11-18-7-3-4-8-19(18)17-29/h3-4,7-10,15H,2,5-6,11-14,16-17H2,1H3,(H2,26,27,32)