1-[(E)-3-(4-carboxyphenyl)prop-2-enyl]-3-dodecanoyl-indole-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(4-carboxyphenyl)prop-2-enyl]-3-dodecanoyl-indole-2-carboxylic acid Openeye Name: 1-[(E)-3-(4-carboxyphenyl)allyl]-3-dodecanoyl-indole-2-carboxylic acid CAS Name: 1-[(E)-3-(4-carboxyphenyl)prop-2-enyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 1-[(E)-3-(4-carboxyphenyl)prop-2-enyl]-3-dodecanoylindole-2-carboxylic acid Traditional Name: 1-[(E)-3-(4-carboxyphenyl)allyl]-3-lauroyl-indole-2-carboxylic acid Formula: C31H37NO5 MolecularWeight: 503.62918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC=CC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO5/c1-2-3-4-5-6-7-8-9-10-17-27(33)28-25-15-11-12-16-26(25)32(29(28)31(36)37)22-13-14-23-18-20-24(21-19-23)30(34)35/h11-16,18-21H,2-10,17,22H2,1H3,(H,34,35)(H,36,37)/b14-13+