11-[(phenylmethyl)amino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid

Systemtic Name: 11-[(phenylmethyl)amino]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-(benzylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[(phenylmethyl)amino]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-(benzylamino)-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-(benzylamino)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C22H19NO3 MolecularWeight: 345.39116

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)NCC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H19NO3/c24-22(25)16-10-11-20-19(12-16)21(23-13-15-6-2-1-3-7-15)18-9-5-4-8-17(18)14-26-20/h1-12,21,23H,13-14H2,(H,24,25)