ethyl (Z)-2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-enoate

Systemtic Name: ethyl (Z)-2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-3-pyridin-3-yl-prop-2-enoate Openeye Name: ethyl (Z)-2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidyl]-3-(3-pyridyl)prop-2-enoate CAS Name: (Z)-2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]-1-piperidinyl]-3-(3-pyridinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-[4-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]-3-pyridin-3-ylprop-2-enoate Traditional Name: (Z)-2-[4-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidino]-3-(3-pyridyl)acrylic acid ethyl ester Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN=CC=C1)N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

CCOC(=O)/C(=C/C1=CN=CC=C1)/N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C26H33N5O3/c1-2-33-25(32)24(14-20-4-3-10-29-16-20)30-11-7-19(8-12-30)18-34-23-6-5-21-9-13-31(26(27)28)17-22(21)15-23/h3-6,10,14-16,19H,2,7-9,11-13,17-18H2,1H3,(H3,27,28)/b24-14-