4-[(4-acetyloxy-5-methyl-6-phenyl-hexyl)-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[(4-acetyloxy-5-methyl-6-phenyl-hexyl)-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Openeye Name: 4-[(4-acetoxy-5-methyl-6-phenyl-hexyl)-benzyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid CAS Name: 4-[[(4-acetyloxy-5-methyl-6-phenylhexyl)-(phenylmethyl)amino]-oxomethyl]cyclobutane-1,2,3-tricarboxylic acid IUPAC Name: 4-[(4-acetyloxy-5-methyl-6-phenylhexyl)-benzylcarbamoyl]cyclobutane-1,2,3-tricarboxylic acid Traditional Name: 4-[(4-acetoxy-5-methyl-6-phenyl-hexyl)-benzyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Formula: C30H35NO9 MolecularWeight: 553.6002

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)C(CCCN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O)OC(=O)C

Isomeric SMILES

CC(CC1=CC=CC=C1)C(CCCN(CC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O)OC(=O)C

InChI

InChI=1S/C30H35NO9/c1-18(16-20-10-5-3-6-11-20)22(40-19(2)32)14-9-15-31(17-21-12-7-4-8-13-21)27(33)23-24(28(34)35)26(30(38)39)25(23)29(36)37/h3-8,10-13,18,22-26H,9,14-17H2,1-2H3,(H,34,35)(H,36,37)(H,38,39)