(phenylmethyl) 4-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) 4-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxidanylidene-pentanoate Openeye Name: benzyl 4-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxo-pentanoate CAS Name: 4-[[(4-chloroanilino)-oxomethyl]amino]-5-(dipentylamino)-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-chlorophenyl)carbamoylamino]-5-(dipentylamino)-5-oxopentanoate Traditional Name: 4-[(4-chlorophenyl)carbamoylamino]-5-(diamylamino)-5-keto-valeric acid benzyl ester Formula: C29H40ClN3O4 MolecularWeight: 530.0986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C29H40ClN3O4/c1-3-5-10-20-33(21-11-6-4-2)28(35)26(32-29(36)31-25-16-14-24(30)15-17-25)18-19-27(34)37-22-23-12-8-7-9-13-23/h7-9,12-17,26H,3-6,10-11,18-22H2,1-2H3,(H2,31,32,36)