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

Systemtic Name: 3-[4-(3-oxidanylpropyl)piperazin-1-yl]propyl 5-benzamido-4-(dipropylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-[4-(3-hydroxypropyl)piperazin-1-yl]propyl 5-benzamido-4-(dipropylamino)-5-oxo-pentanoate CAS Name: 5-benzamido-4-(dipropylamino)-5-oxopentanoic acid 3-[4-(3-hydroxypropyl)-1-piperazinyl]propyl ester IUPAC Name: 3-[4-(3-hydroxypropyl)piperazin-1-yl]propyl 5-benzamido-4-(dipropylamino)-5-oxopentanoate Traditional Name: 5-benzamido-4-(dipropylamino)-5-keto-valeric acid 3-[4-(3-hydroxypropyl)piperazino]propyl ester Formula: C28H46N4O5 MolecularWeight: 518.68864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N4O5/c1-3-14-32(15-4-2)25(28(36)29-27(35)24-10-6-5-7-11-24)12-13-26(34)37-23-9-17-31-20-18-30(19-21-31)16-8-22-33/h5-7,10-11,25,33H,3-4,8-9,12-23H2,1-2H3,(H,29,35,36)