2-[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]methyl]butanedioic acid

Systemtic Name: 2-[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]methyl]butanedioic acid Openeye Name: 2-[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]methyl]butanedioic acid CAS Name: 2-[[4-[3-[[(2-methyl-1-oxooctyl)amino]methyl]phenyl]phenyl]methyl]butanedioic acid IUPAC Name: 2-[[4-[3-[(2-methyloctanoylamino)methyl]phenyl]phenyl]methyl]butanedioic acid Traditional Name: 2-[4-[3-[(2-methyloctanoylamino)methyl]phenyl]benzyl]succinic acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC(C)C(=O)NCC1=CC=CC(=C1)C2=CC=C(C=C2)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C27H35NO5/c1-3-4-5-6-8-19(2)26(31)28-18-21-9-7-10-23(16-21)22-13-11-20(12-14-22)15-24(27(32)33)17-25(29)30/h7,9-14,16,19,24H,3-6,8,15,17-18H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)