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

Systemtic Name: 9-ethoxy-3-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Openeye Name: 4-(1-benzyl-4-piperidyl)-9-ethoxy-2-isopropyl-3-oxo-5H-1,4-benzoxazepine-5-carboxylic acid CAS Name: 9-ethoxy-3-oxo-4-[1-(phenylmethyl)-4-piperidinyl]-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid IUPAC Name: 4-(1-benzylpiperidin-4-yl)-9-ethoxy-3-oxo-2-propan-2-yl-5H-1,4-benzoxazepine-5-carboxylic acid Traditional Name: 4-(1-benzyl-4-piperidyl)-9-ethoxy-2-isopropyl-3-keto-5H-1,4-benzoxazepine-5-carboxylic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)C3CCN(CC3)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CCOC1=CC=CC2=C1OC(C(=O)N(C2C(=O)O)C3CCN(CC3)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H34N2O5/c1-4-33-22-12-8-11-21-23(27(31)32)29(26(30)24(18(2)3)34-25(21)22)20-13-15-28(16-14-20)17-19-9-6-5-7-10-19/h5-12,18,20,23-24H,4,13-17H2,1-3H3,(H,31,32)