[2-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[[4-[(2-methoxyphenyl)carbamoyl]phenyl]amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[4-[(2-methoxyanilino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-[4-[(2-methoxyphenyl)carbamoyl]anilino]ethyl] ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C27H28N2O6/c1-3-4-17-34-22-15-11-20(12-16-22)27(32)35-18-25(30)28-21-13-9-19(10-14-21)26(31)29-23-7-5-6-8-24(23)33-2/h5-16H,3-4,17-18H2,1-2H3,(H,28,30)(H,29,31)