(E)-3-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-yl-prop-2-enoic acid Openeye Name: (E)-3-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-2-(3-pyridyl)prop-2-enoic acid CAS Name: (E)-3-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-2-(3-pyridinyl)-2-propenoic acid IUPAC Name: (E)-3-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-2-pyridin-3-ylprop-2-enoic acid Traditional Name: (E)-3-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-2-(3-pyridyl)acrylic acid Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)C=C(C4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC3=C(CCN(C3)C(=N)N)C=C2)/C=C(\C4=CN=CC=C4)/C(=O)O

InChI

InChI=1S/C24H29N5O3/c25-24(26)29-11-7-18-3-4-21(12-20(18)14-29)32-16-17-5-9-28(10-6-17)15-22(23(30)31)19-2-1-8-27-13-19/h1-4,8,12-13,15,17H,5-7,9-11,14,16H2,(H3,25,26)(H,30,31)/b22-15+