4-[2-(11-acetamido-6H-benzo[c][1]benzoxepin-11-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(11-acetamido-6H-benzo[c][1]benzoxepin-11-yl)ethyl]benzoic acid Openeye Name: 4-[2-(11-acetamido-6H-benzo[c][1]benzoxepin-11-yl)ethyl]benzoic acid CAS Name: 4-[2-(11-acetamido-6H-benzo[c][1]benzoxepin-11-yl)ethyl]benzoic acid IUPAC Name: 4-[2-(11-acetamido-6H-benzo[c][1]benzoxepin-11-yl)ethyl]benzoic acid Traditional Name: 4-[2-(11-acetamido-6H-benzo[c][1]benzoxepin-11-yl)ethyl]benzoic acid Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C2=CC=CC=C2COC3=CC=CC=C31)CCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(=O)NC1(C2=CC=CC=C2COC3=CC=CC=C31)CCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H23NO4/c1-17(27)26-25(15-14-18-10-12-19(13-11-18)24(28)29)21-7-3-2-6-20(21)16-30-23-9-5-4-8-22(23)25/h2-13H,14-16H2,1H3,(H,26,27)(H,28,29)