4-[[(E)-6-methyl-9-phenyl-non-4-enyl]-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[[(E)-6-methyl-9-phenyl-non-4-enyl]-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Openeye Name: 4-[benzyl-[(E)-6-methyl-9-phenyl-non-4-enyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid CAS Name: 4-[[[(E)-6-methyl-9-phenylnon-4-enyl]-(phenylmethyl)amino]-oxomethyl]cyclobutane-1,2,3-tricarboxylic acid IUPAC Name: 4-[benzyl-[(E)-6-methyl-9-phenylnon-4-enyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Traditional Name: 4-[benzyl-[(E)-6-methyl-9-phenyl-non-4-enyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Formula: C31H37NO7 MolecularWeight: 535.62798

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)C=CCCCN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(CCCC1=CC=CC=C1)/C=C/CCCN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C31H37NO7/c1-21(13-11-18-22-14-6-2-7-15-22)12-5-4-10-19-32(20-23-16-8-3-9-17-23)28(33)24-25(29(34)35)27(31(38)39)26(24)30(36)37/h2-3,5-9,12,14-17,21,24-27H,4,10-11,13,18-20H2,1H3,(H,34,35)(H,36,37)(H,38,39)/b12-5+