1-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methyl-benzo[c][1]benzoxepine-4-carboxylate

Systemtic Name: 1-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methyl-benzo[c][1]benzoxepine-4-carboxylate Openeye Name: 1-[(2,6-diisopropylphenyl)carbamoyl]-2-methyl-benzo[c][1]benzoxepine-4-carboxylate CAS Name: 1-[[2,6-di(propan-2-yl)anilino]-oxomethyl]-2-methyl-4-benzo[c][1]benzoxepincarboxylate IUPAC Name: 1-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methylbenzo[c][1]benzoxepine-4-carboxylate Traditional Name: 1-[(2,6-diisopropylphenyl)carbamoyl]-2-methyl-benzo[c][1]benzoxepin-4-carboxylate Formula: C29H28NO4- MolecularWeight: 454.53692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C(=C1)C(=O)[O-])OC=C3C=CC=CC3=C2)C(=O)NC4=C(C=CC=C4C(C)C)C(C)C

Isomeric SMILES

CC1=C(C2=C(C(=C1)C(=O)[O-])OC=C3C=CC=CC3=C2)C(=O)NC4=C(C=CC=C4C(C)C)C(C)C

InChI

InChI=1S/C29H29NO4/c1-16(2)21-11-8-12-22(17(3)4)26(21)30-28(31)25-18(5)13-24(29(32)33)27-23(25)14-19-9-6-7-10-20(19)15-34-27/h6-17H,1-5H3,(H,30,31)(H,32,33)/p-1