3-phenylpropyl 2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanoate

Systemtic Name: 3-phenylpropyl 2-(11-oxidanylidene-6H-benzo[c][1]benzoxepin-2-yl)ethanoate Openeye Name: 3-phenylpropyl 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate CAS Name: 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate Traditional Name: 2-(11-keto-6H-benzo[c][1]benzoxepin-2-yl)acetic acid 3-phenylpropyl ester Formula: C25H22O4 MolecularWeight: 386.43978

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C25H22O4/c26-24(28-14-6-9-18-7-2-1-3-8-18)16-19-12-13-23-22(15-19)25(27)21-11-5-4-10-20(21)17-29-23/h1-5,7-8,10-13,15H,6,9,14,16-17H2