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

Systemtic Name: 1-[2-(4-carboxy-3-chloranyl-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid Openeye Name: 1-[2-(4-carboxy-3-chloro-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid CAS Name: 1-[2-(4-carboxy-3-chlorophenoxy)ethyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 1-[2-(4-carboxy-3-chlorophenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid Traditional Name: 1-[2-(4-carboxy-3-chloro-phenoxy)ethyl]-3-lauroyl-indole-2-carboxylic acid Formula: C30H36ClNO6 MolecularWeight: 542.06294

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H36ClNO6/c1-2-3-4-5-6-7-8-9-10-15-26(33)27-23-13-11-12-14-25(23)32(28(27)30(36)37)18-19-38-21-16-17-22(29(34)35)24(31)20-21/h11-14,16-17,20H,2-10,15,18-19H2,1H3,(H,34,35)(H,36,37)