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

Systemtic Name: 9-ethoxy-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 9-ethoxy-2-isopropyl-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 9-ethoxy-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 9-ethoxy-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 9-ethoxy-2-isopropyl-3-keto-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CCC3=CNC4=C3C=C(C=C4)OC)C(C)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)CCC3=CNC4=C3C=C(C=C4)OC)C(C)C

InChI

InChI=1S/C26H30N2O6/c1-5-33-21-8-6-7-18-22(26(30)31)28(25(29)23(15(2)3)34-24(18)21)12-11-16-14-27-20-10-9-17(32-4)13-19(16)20/h6-10,13-15,22-23,27H,5,11-12H2,1-4H3,(H,30,31)