[2-[2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-(4-methoxyphenyl)-2-oxidanylidene-ethyl] ethanoate

Systemtic Name: [2-[2-[(1-azanylisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-(4-methoxyphenyl)-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidin-1-yl]-1-(4-methoxyphenyl)-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[2-[[(1-amino-6-isoquinolinyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-[2-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-(4-methoxyphenyl)-2-oxoethyl] acetate Traditional Name: acetic acid [2-[2-[(1-amino-6-isoquinolyl)methylcarbamoyl]pyrrolidino]-2-keto-1-(4-methoxyphenyl)ethyl] ester Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=C(C=C1)OC)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

Isomeric SMILES

CC(=O)OC(C1=CC=C(C=C1)OC)C(=O)N2CCCC2C(=O)NCC3=CC4=C(C=C3)C(=NC=C4)N

InChI

InChI=1S/C26H28N4O5/c1-16(31)35-23(18-6-8-20(34-2)9-7-18)26(33)30-13-3-4-22(30)25(32)29-15-17-5-10-21-19(14-17)11-12-28-24(21)27/h5-12,14,22-23H,3-4,13,15H2,1-2H3,(H2,27,28)(H,29,32)