2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)-1-(phenylmethyl)indole-6-carboxylic acid

Systemtic Name: 2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)indole-6-carboxylic acid CAS Name: 2-butyl-3-(2-methoxycarbonyl-1-cyclopentenyl)-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-2-butyl-3-(2-methoxycarbonylcyclopenten-1-yl)indole-6-carboxylic acid Traditional Name: 1-benzyl-2-butyl-3-(2-carbomethoxycyclopenten-1-yl)indole-6-carboxylic acid Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(=O)O)C4=C(CCC4)C(=O)OC

Isomeric SMILES

CCCCC1=C(C2=C(N1CC3=CC=CC=C3)C=C(C=C2)C(=O)O)C4=C(CCC4)C(=O)OC

InChI

InChI=1S/C27H29NO4/c1-3-4-13-23-25(20-11-8-12-21(20)27(31)32-2)22-15-14-19(26(29)30)16-24(22)28(23)17-18-9-6-5-7-10-18/h5-7,9-10,14-16H,3-4,8,11-13,17H2,1-2H3,(H,29,30)