ethyl 4-[[(4-butylphenyl)methyl-heptyl-carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(4-butylphenyl)methyl-heptyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[(4-butylphenyl)methyl-heptyl-carbamoyl]amino]benzoate CAS Name: 4-[[[(4-butylphenyl)methyl-heptylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-butylphenyl)methyl-heptylcarbamoyl]amino]benzoate Traditional Name: 4-[[(4-butylbenzyl)-heptyl-carbamoyl]amino]benzoic acid ethyl ester Formula: C28H40N2O3 MolecularWeight: 452.6288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC=C(C=C1)CCCC)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCN(CC1=CC=C(C=C1)CCCC)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C28H40N2O3/c1-4-7-9-10-11-21-30(22-24-15-13-23(14-16-24)12-8-5-2)28(32)29-26-19-17-25(18-20-26)27(31)33-6-3/h13-20H,4-12,21-22H2,1-3H3,(H,29,32)