5-azanyl-8-(cyclohexylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepine-7-carboxylic acid

Systemtic Name: 5-azanyl-8-(cyclohexylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepine-7-carboxylic acid Openeye Name: 5-amino-8-(cyclohexylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepine-7-carboxylic acid CAS Name: 5-amino-8-(cyclohexylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-7-carboxylic acid IUPAC Name: 5-amino-8-(cyclohexylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepine-7-carboxylic acid Traditional Name: 5-amino-8-(cyclohexylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-7-carboxylic acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=CC3=C(C=C2C(=O)O)C(CCCO3)N

Isomeric SMILES

C1CCC(CC1)COC2=CC3=C(C=C2C(=O)O)C(CCCO3)N

InChI

InChI=1S/C18H25NO4/c19-15-7-4-8-22-16-10-17(14(18(20)21)9-13(15)16)23-11-12-5-2-1-3-6-12/h9-10,12,15H,1-8,11,19H2,(H,20,21)