1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepane-4-carboxylic acid

Systemtic Name: 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepane-4-carboxylic acid Openeye Name: 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepane-4-carboxylic acid CAS Name: 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)-4-azepanecarboxylic acid IUPAC Name: 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepane-4-carboxylic acid Traditional Name: 1-(2-methoxyphenyl)-4-(3-methoxyphenyl)azepane-4-carboxylic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCCN(CC2)C3=CC=CC=C3OC)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCCN(CC2)C3=CC=CC=C3OC)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-25-17-8-5-7-16(15-17)21(20(23)24)11-6-13-22(14-12-21)18-9-3-4-10-19(18)26-2/h3-5,7-10,15H,6,11-14H2,1-2H3,(H,23,24)