ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(oxan-4-yloxy)phenyl]ethanoate

Systemtic Name: ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(oxan-4-yloxy)phenyl]ethanoate Openeye Name: ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-(4-tetrahydropyran-4-yloxyphenyl)acetate CAS Name: 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(4-oxanyloxy)phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-[4-(oxan-4-yloxy)phenyl]acetate Traditional Name: 2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-2-(4-tetrahydropyran-4-yloxyphenyl)acetic acid ethyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)OC2CCOCC2)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)OC2CCOCC2)OC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C25H31N3O5/c1-2-31-24(29)23(18-4-6-20(7-5-18)32-21-10-13-30-14-11-21)33-22-8-3-17-9-12-28(25(26)27)16-19(17)15-22/h3-8,15,21,23H,2,9-14,16H2,1H3,(H3,26,27)