[2-tert-butyl-6-[[2-cyclohexylethyl(phenyl)carbamoyl]amino]-4-methoxy-phenyl] 2-azanylpropanoate

Systemtic Name: [2-tert-butyl-6-[[2-cyclohexylethyl(phenyl)carbamoyl]amino]-4-methoxy-phenyl] 2-azanylpropanoate Openeye Name: [2-tert-butyl-6-[[2-cyclohexylethyl(phenyl)carbamoyl]amino]-4-methoxy-phenyl] 2-aminopropanoate CAS Name: 2-aminopropanoic acid [2-tert-butyl-6-[[[N-(2-cyclohexylethyl)anilino]-oxomethyl]amino]-4-methoxyphenyl] ester IUPAC Name: [2-tert-butyl-6-[[2-cyclohexylethyl(phenyl)carbamoyl]amino]-4-methoxyphenyl] 2-aminopropanoate Traditional Name: 2-aminopropionic acid [2-tert-butyl-6-[[2-cyclohexylethyl(phenyl)carbamoyl]amino]-4-methoxy-phenyl] ester Formula: C29H41N3O4 MolecularWeight: 495.65354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)NC(=O)N(CCC2CCCCC2)C3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)NC(=O)N(CCC2CCCCC2)C3=CC=CC=C3)N

InChI

InChI=1S/C29H41N3O4/c1-20(30)27(33)36-26-24(29(2,3)4)18-23(35-5)19-25(26)31-28(34)32(22-14-10-7-11-15-22)17-16-21-12-8-6-9-13-21/h7,10-11,14-15,18-21H,6,8-9,12-13,16-17,30H2,1-5H3,(H,31,34)