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2-[4-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]phenoxy]propanedioic acid

2-[4-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]phenoxy]propanedioic acid

Systemtic Name:2-[4-[2-benzamido-3-oxidanylidene-3-(4-phenylbutylamino)propyl]phenoxy]propanedioic acid
Openeye Name:2-[4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]propanedioic acid
CAS Name:2-[4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]propanedioic acid
IUPAC Name:2-[4-[2-benzamido-3-oxo-3-(4-phenylbutylamino)propyl]phenoxy]propanedioic acid
Traditional Name:2-[4-[2-benzamido-3-keto-3-(4-phenylbutylamino)propyl]phenoxy]malonic acid
Formula: C29H30N2O7
MolecularWeight: 518.5577
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC=C(C=C2)OC(C(=O)O)C(=O)O)NC(=O)C3=CC=CC=C3


Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C(CC2=CC=C(C=C2)OC(C(=O)O)C(=O)O)NC(=O)C3=CC=CC=C3


InChI

InChI=1S/C29H30N2O7/c32-26(22-12-5-2-6-13-22)31-24(27(33)30-18-8-7-11-20-9-3-1-4-10-20)19-21-14-16-23(17-15-21)38-25(28(34)35)29(36)37/h1-6,9-10,12-17,24-25H,7-8,11,18-19H2,(H,30,33)(H,31,32)(H,34,35)(H,36,37)


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