ethyl 2-[[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-ethanoyl-amino]ethanoate

Systemtic Name: ethyl 2-[[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-ethanoyl-amino]ethanoate Openeye Name: ethyl 2-[acetyl-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]amino]acetate CAS Name: 2-[acetyl-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[acetyl-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]amino]acetate Traditional Name: 2-[acetyl-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]amino]acetic acid ethyl ester Formula: C22H33N5O4 MolecularWeight: 431.52852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C(=O)C)N1CCC(CC1)COC2=CC3=C(CCN(C3)C(=N)N)C=C2

Isomeric SMILES

CCOC(=O)CN(C(=O)C)N1CCC(CC1)COC2=CC3=C(CCN(C3)C(=N)N)C=C2

InChI

InChI=1S/C22H33N5O4/c1-3-30-21(29)14-27(16(2)28)26-10-6-17(7-11-26)15-31-20-5-4-18-8-9-25(22(23)24)13-19(18)12-20/h4-5,12,17H,3,6-11,13-15H2,1-2H3,(H3,23,24)