1-[(6-carboxynaphthalen-2-yl)methyl]-3-dodecanoyl-indole-2-carboxylic acid

Systemtic Name: 1-[(6-carboxynaphthalen-2-yl)methyl]-3-dodecanoyl-indole-2-carboxylic acid Openeye Name: 1-[(6-carboxy-2-naphthyl)methyl]-3-dodecanoyl-indole-2-carboxylic acid CAS Name: 1-[(6-carboxy-2-naphthalenyl)methyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 1-[(6-carboxynaphthalen-2-yl)methyl]-3-dodecanoylindole-2-carboxylic acid Traditional Name: 1-[(6-carboxy-2-naphthyl)methyl]-3-lauroyl-indole-2-carboxylic acid Formula: C33H37NO5 MolecularWeight: 527.65058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC4=C(C=C3)C=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C33H37NO5/c1-2-3-4-5-6-7-8-9-10-15-29(35)30-27-13-11-12-14-28(27)34(31(30)33(38)39)22-23-16-17-25-21-26(32(36)37)19-18-24(25)20-23/h11-14,16-21H,2-10,15,22H2,1H3,(H,36,37)(H,38,39)