O1-ethyl O4-[1-(phenylmethyl)piperidin-4-yl] (E)-but-2-enedioate; isoquinoline

Systemtic Name: O1-ethyl O4-[1-(phenylmethyl)piperidin-4-yl] (E)-but-2-enedioate; isoquinoline Openeye Name: O4-(1-benzyl-4-piperidyl) O1-ethyl (E)-but-2-enedioate; isoquinoline CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[1-(phenylmethyl)-4-piperidinyl] ester; isoquinoline IUPAC Name: 4-O-(1-benzylpiperidin-4-yl) 1-O-ethyl (E)-but-2-enedioate; isoquinoline Traditional Name: (E)-but-2-enedioic acid O4-(1-benzyl-4-piperidyl) ester O1-ethyl ester; isoquinoline Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OC1CCN(CC1)CC2=CC=CC=C2.C1=CC=C2C=NC=CC2=C1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OC1CCN(CC1)CC2=CC=CC=C2.C1=CC=C2C=NC=CC2=C1

InChI

InChI=1S/C18H23NO4.C9H7N/c1-2-22-17(20)8-9-18(21)23-16-10-12-19(13-11-16)14-15-6-4-3-5-7-15;1-2-4-9-7-10-6-5-8(9)3-1/h3-9,16H,2,10-14H2,1H3;1-7H/b9-8+;