4-[(3-bromophenyl)carbamoyl]-5-(dipentylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[(3-bromophenyl)carbamoyl]-5-(dipentylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[(3-bromophenyl)carbamoyl]-5-(dipentylamino)-5-oxo-pentanoic acid CAS Name: 4-[(3-bromoanilino)-oxomethyl]-5-(dipentylamino)-5-oxopentanoic acid IUPAC Name: 4-[(3-bromophenyl)carbamoyl]-5-(dipentylamino)-5-oxopentanoic acid Traditional Name: 4-[(3-bromophenyl)carbamoyl]-5-(diamylamino)-5-keto-valeric acid Formula: C22H33BrN2O4 MolecularWeight: 469.41242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)C(=O)NC1=CC(=CC=C1)Br

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)O)C(=O)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C22H33BrN2O4/c1-3-5-7-14-25(15-8-6-4-2)22(29)19(12-13-20(26)27)21(28)24-18-11-9-10-17(23)16-18/h9-11,16,19H,3-8,12-15H2,1-2H3,(H,24,28)(H,26,27)