7-[[1-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-methoxy-2-oxidanylidene-ethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid

Systemtic Name: 7-[[1-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-methoxy-2-oxidanylidene-ethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-[[1-(3-ethoxy-4-isopropoxy-phenyl)-2-methoxy-2-oxo-ethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-[[1-(3-ethoxy-4-propan-2-yloxyphenyl)-2-methoxy-2-oxoethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-[[1-(3-ethoxy-4-propan-2-yloxyphenyl)-2-methoxy-2-oxoethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-[[1-(3-ethoxy-4-isopropoxy-phenyl)-2-keto-2-methoxy-ethyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C24H30N2O6 MolecularWeight: 442.5048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)OC)NC2=CC3=C(CCN(C3)C(=O)O)C=C2)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)OC)NC2=CC3=C(CCN(C3)C(=O)O)C=C2)OC(C)C

InChI

InChI=1S/C24H30N2O6/c1-5-31-21-13-17(7-9-20(21)32-15(2)3)22(23(27)30-4)25-19-8-6-16-10-11-26(24(28)29)14-18(16)12-19/h6-9,12-13,15,22,25H,5,10-11,14H2,1-4H3,(H,28,29)