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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCCC1=C(C=CN=C1)N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

Isomeric SMILES

C=CC(=O)OCCC1=C(C=CN=C1)N2CCC(CC2)COC3=CC4=C(CCN(C4)C(=N)N)C=C3

InChI

InChI=1S/C26H33N5O3/c1-2-25(32)33-14-9-21-16-29-10-5-24(21)30-11-6-19(7-12-30)18-34-23-4-3-20-8-13-31(26(27)28)17-22(20)15-23/h2-5,10,15-16,19H,1,6-9,11-14,17-18H2,(H3,27,28)