methyl (E)-3-[11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzoxepin-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzoxepin-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[11-(1-methyl-4-piperidylidene)-6H-benzo[c][1]benzoxepin-2-yl]prop-2-enoate CAS Name: (E)-3-[11-(1-methyl-4-piperidinylidene)-6H-benzo[c][1]benzoxepin-2-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzoxepin-2-yl]prop-2-enoate Traditional Name: (E)-3-[11-(1-methyl-4-piperidylidene)-6H-benzo[c][1]benzoxepin-2-yl]acrylic acid methyl ester Formula: C24H25NO3 MolecularWeight: 375.4602

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC=CC=C3COC4=C2C=C(C=C4)C=CC(=O)OC)CC1

Isomeric SMILES

CN1CCC(=C2C3=CC=CC=C3COC4=C2C=C(C=C4)/C=C/C(=O)OC)CC1

InChI

InChI=1S/C24H25NO3/c1-25-13-11-18(12-14-25)24-20-6-4-3-5-19(20)16-28-22-9-7-17(15-21(22)24)8-10-23(26)27-2/h3-10,15H,11-14,16H2,1-2H3/b10-8+