2-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxidanylidene-2-phenylmethoxy-pentanoic acid

Systemtic Name: 2-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxidanylidene-2-phenylmethoxy-pentanoic acid Openeye Name: 2-benzyloxy-2-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxo-pentanoic acid CAS Name: 2-[[(4-chloroanilino)-oxomethyl]amino]-5-(dipentylamino)-5-oxo-2-phenylmethoxypentanoic acid IUPAC Name: 2-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxo-2-phenylmethoxypentanoic acid Traditional Name: 2-benzoxy-2-[(4-chlorophenyl)carbamoylamino]-5-(diamylamino)-5-keto-valeric acid Formula: C29H40ClN3O5 MolecularWeight: 546.098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)CCC(C(=O)O)(NC(=O)NC1=CC=C(C=C1)Cl)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCN(CCCCC)C(=O)CCC(C(=O)O)(NC(=O)NC1=CC=C(C=C1)Cl)OCC2=CC=CC=C2

InChI

InChI=1S/C29H40ClN3O5/c1-3-5-10-20-33(21-11-6-4-2)26(34)18-19-29(27(35)36,38-22-23-12-8-7-9-13-23)32-28(37)31-25-16-14-24(30)15-17-25/h7-9,12-17H,3-6,10-11,18-22H2,1-2H3,(H,35,36)(H2,31,32,37)