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

Systemtic Name: 4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxidanylidene-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 2-isopropyl-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 2-isopropyl-3-keto-4-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)O)CCC3=CNC4=C3C=C(C=C4)OC

Isomeric SMILES

CC(C)C1C(=O)N(C(C2=CC=CC=C2O1)C(=O)O)CCC3=CNC4=C3C=C(C=C4)OC

InChI

InChI=1S/C24H26N2O5/c1-14(2)22-23(27)26(21(24(28)29)17-6-4-5-7-20(17)31-22)11-10-15-13-25-19-9-8-16(30-3)12-18(15)19/h4-9,12-14,21-22,25H,10-11H2,1-3H3,(H,28,29)