3-[(3,4-dichlorophenyl)carbamoyl]-4-(dipentylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(3,4-dichlorophenyl)carbamoyl]-4-(dipentylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-[(3,4-dichlorophenyl)carbamoyl]-4-(dipentylamino)-4-oxo-butanoic acid CAS Name: 3-[(3,4-dichloroanilino)-oxomethyl]-4-(dipentylamino)-4-oxobutanoic acid IUPAC Name: 3-[(3,4-dichlorophenyl)carbamoyl]-4-(dipentylamino)-4-oxobutanoic acid Traditional Name: 3-(diamylcarbamoyl)-4-(3,4-dichloroanilino)-4-keto-butyric acid Formula: C21H30Cl2N2O4 MolecularWeight: 445.3799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CC(=O)O)C(=O)NC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CC(=O)O)C(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C21H30Cl2N2O4/c1-3-5-7-11-25(12-8-6-4-2)21(29)16(14-19(26)27)20(28)24-15-9-10-17(22)18(23)13-15/h9-10,13,16H,3-8,11-12,14H2,1-2H3,(H,24,28)(H,26,27)