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

Systemtic Name: ethanedioic acid; 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxo-pentanoate; oxalic acid CAS Name: 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid 3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl ester; oxalic acid IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate; oxalic acid Traditional Name: 4-benzamido-5-(dipropylamino)-5-keto-valeric acid 3-[4-(2-hydroxyethyl)piperazino]propyl ester; oxalic acid Formula: C31H48N4O13 MolecularWeight: 684.73182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44N4O5.2C2H2O4/c1-3-13-31(14-4-2)27(35)24(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;2*3-1(4)2(5)6/h5-7,9-10,24,32H,3-4,8,11-22H2,1-2H3,(H,28,34);2*(H,3,4)(H,5,6)