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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN1CCC(CC1)COC2=CC3=C(CCN(C3)C(=N)N)C=C2

Isomeric SMILES

CCOC(=O)CNC(=O)CN1CCC(CC1)COC2=CC3=C(CCN(C3)C(=N)N)C=C2

InChI

InChI=1S/C22H33N5O4/c1-2-30-21(29)12-25-20(28)14-26-8-5-16(6-9-26)15-31-19-4-3-17-7-10-27(22(23)24)13-18(17)11-19/h3-4,11,16H,2,5-10,12-15H2,1H3,(H3,23,24)(H,25,28)