[2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxy-phenyl] 2-azanylpropanoate dihydrochloride

Systemtic Name: [2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxy-phenyl] 2-azanylpropanoate dihydrochloride Openeye Name: [2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxy-phenyl] 2-aminopropanoate dihydrochloride CAS Name: 2-aminopropanoic acid [2-tert-butyl-6-[[[N-cycloheptyl-4-(dimethylamino)anilino]-oxomethyl]amino]-4-methoxyphenyl] ester dihydrochloride IUPAC Name: [2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxyphenyl] 2-aminopropanoate dihydrochloride Traditional Name: 2-aminopropionic acid [2-tert-butyl-6-[[cycloheptyl-(4-dimethylaminophenyl)carbamoyl]amino]-4-methoxy-phenyl] ester dihydrochloride Formula: C30H46Cl2N4O4 MolecularWeight: 597.61664

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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(C2CCCCCC2)C3=CC=C(C=C3)N(C)C)N.Cl.Cl

Isomeric SMILES

CC(C(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)NC(=O)N(C2CCCCCC2)C3=CC=C(C=C3)N(C)C)N.Cl.Cl

InChI

InChI=1S/C30H44N4O4.2ClH/c1-20(31)28(35)38-27-25(30(2,3)4)18-24(37-7)19-26(27)32-29(36)34(22-12-10-8-9-11-13-22)23-16-14-21(15-17-23)33(5)6;;/h14-20,22H,8-13,31H2,1-7H3,(H,32,36);2*1H