tert-butyl 7-[[1-[3-(2-prop-2-enoyloxyethyl)pyridin-4-yl]piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-[[1-[3-(2-prop-2-enoyloxyethyl)pyridin-4-yl]piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-[[1-[3-(2-prop-2-enoyloxyethyl)-4-pyridyl]-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-[[1-[3-[2-(1-oxoprop-2-enoxy)ethyl]-4-pyridinyl]-4-piperidinyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[[1-[3-(2-prop-2-enoyloxyethyl)pyridin-4-yl]piperidin-4-yl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-[[1-[3-(2-acryloyloxyethyl)-4-pyridyl]-4-piperidyl]methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C30H39N3O5 MolecularWeight: 521.64776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C4=C(C=NC=C4)CCOC(=O)C=C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)OCC3CCN(CC3)C4=C(C=NC=C4)CCOC(=O)C=C

InChI

InChI=1S/C30H39N3O5/c1-5-28(34)36-17-12-24-19-31-13-8-27(24)32-14-9-22(10-15-32)21-37-26-7-6-23-11-16-33(20-25(23)18-26)29(35)38-30(2,3)4/h5-8,13,18-19,22H,1,9-12,14-17,20-21H2,2-4H3