9-ethoxy-4-[2-(1H-indol-3-yl)ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid

Systemtic Name: 9-ethoxy-4-[2-(1H-indol-3-yl)ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 9-ethoxy-4-[2-(1H-indol-3-yl)ethyl]-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 9-ethoxy-4-[2-(1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 9-ethoxy-4-[2-(1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 9-ethoxy-4-[2-(1H-indol-3-yl)ethyl]-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CCC3=CNC4=CC=CC=C43)C(C)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CCC3=CNC4=CC=CC=C43)C(C)C

InChI

InChI=1S/C25H28N2O5/c1-4-31-20-11-7-9-18-21(25(29)30)27(24(28)22(15(2)3)32-23(18)20)13-12-16-14-26-19-10-6-5-8-17(16)19/h5-11,14-15,21-22,26H,4,12-13H2,1-3H3,(H,29,30)