1-[2-(4-carboxy-3-oxidanyl-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid

Systemtic Name: 1-[2-(4-carboxy-3-oxidanyl-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid Openeye Name: 1-[2-(4-carboxy-3-hydroxy-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid CAS Name: 1-[2-(4-carboxy-3-hydroxyphenoxy)ethyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 1-[2-(4-carboxy-3-hydroxyphenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid Traditional Name: 1-[2-(4-carboxy-3-hydroxy-phenoxy)ethyl]-3-lauroyl-indole-2-carboxylic acid Formula: C30H37NO7 MolecularWeight: 523.61728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCOC3=CC(=C(C=C3)C(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCOC3=CC(=C(C=C3)C(=O)O)O)C(=O)O

InChI

InChI=1S/C30H37NO7/c1-2-3-4-5-6-7-8-9-10-15-25(32)27-22-13-11-12-14-24(22)31(28(27)30(36)37)18-19-38-21-16-17-23(29(34)35)26(33)20-21/h11-14,16-17,20,33H,2-10,15,18-19H2,1H3,(H,34,35)(H,36,37)