3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 5-benzamido-4-(dipropylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 5-benzamido-4-(dipropylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 5-benzamido-4-(dipropylamino)-5-oxo-pentanoate CAS Name: 5-benzamido-4-(dipropylamino)-5-oxopentanoic acid 3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 5-benzamido-4-(dipropylamino)-5-oxopentanoate Traditional Name: 5-benzamido-4-(dipropylamino)-5-keto-valeric acid 3-[4-(2-hydroxyethyl)piperazino]propyl ester Formula: C27H44N4O5 MolecularWeight: 504.66206

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(CCC(=O)OCCCN1CCN(CC1)CCO)C(=O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCN(CCC)C(CCC(=O)OCCCN1CCN(CC1)CCO)C(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H44N4O5/c1-3-13-31(14-4-2)24(27(35)28-26(34)23-9-6-5-7-10-23)11-12-25(33)36-22-8-15-29-16-18-30(19-17-29)20-21-32/h5-7,9-10,24,32H,3-4,8,11-22H2,1-2H3,(H,28,34,35)