(1S,3S)-4-[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid

Systemtic Name: (1S,3S)-4-[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Openeye Name: (1S,3S)-4-[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid CAS Name: (1S,3S)-4-[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]cyclobutane-1,2,3-tricarboxylic acid IUPAC Name: (1S,3S)-4-[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1,2,3-tricarboxylic acid Traditional Name: (1S,3S)-4-[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Formula: C24H25NO8 MolecularWeight: 455.4572

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3[C@@H](C([C@H]3C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C24H25NO8/c1-2-12-25(13-14-8-10-16(11-9-14)33-15-6-4-3-5-7-15)21(26)17-18(22(27)28)20(24(31)32)19(17)23(29)30/h3-11,17-20H,2,12-13H2,1H3,(H,27,28)(H,29,30)(H,31,32)/t17?,18-,19-,20?/m0/s1