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

Systemtic Name: 2-[2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]acetyl]amino]acetic acid CAS Name: 2-[[2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]acetyl]amino]acetic acid Traditional Name: 2-[[2-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]acetyl]amino]acetic acid Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC(=O)NCC(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)CC(=O)NCC(=O)O

InChI

InChI=1S/C20H29N5O4/c21-20(22)25-8-5-15-1-2-17(9-16(15)11-25)29-13-14-3-6-24(7-4-14)12-18(26)23-10-19(27)28/h1-2,9,14H,3-8,10-13H2,(H3,21,22)(H,23,26)(H,27,28)