2-[4-[[6-(phenylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyloxy]cyclohexyl]ethanoic acid

Systemtic Name: 2-[4-[[6-(phenylcarbamoylamino)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyloxy]cyclohexyl]ethanoic acid Openeye Name: 2-[4-[6-(phenylcarbamoylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]oxycyclohexyl]acetic acid CAS Name: 2-[4-[[6-[[anilino(oxo)methyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethoxy]cyclohexyl]acetic acid IUPAC Name: 2-[4-[6-(phenylcarbamoylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]oxycyclohexyl]acetic acid Traditional Name: 2-[4-[6-(phenylcarbamoylamino)-3,4-dihydro-1H-isoquinoline-2-carbonyl]oxycyclohexyl]acetic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CC(=O)O)OC(=O)N2CCC3=C(C2)C=CC(=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1CC(=O)O)OC(=O)N2CCC3=C(C2)C=CC(=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O5/c29-23(30)14-17-6-10-22(11-7-17)33-25(32)28-13-12-18-15-21(9-8-19(18)16-28)27-24(31)26-20-4-2-1-3-5-20/h1-5,8-9,15,17,22H,6-7,10-14,16H2,(H,29,30)(H2,26,27,31)