3-(3-acetamidophenyl)-1-[[3-(cyclopropylmethoxy)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 3-(3-acetamidophenyl)-1-[[3-(cyclopropylmethoxy)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(3-acetamidophenyl)-1-[[3-(cyclopropylmethoxy)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(3-acetamidophenyl)-1-[[3-(cyclopropylmethoxy)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(3-acetamidophenyl)-1-[[3-(cyclopropylmethoxy)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(3-acetamidophenyl)-1-[3-(cyclopropylmethoxy)benzyl]indole-2-carboxylic acid Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OCC5CC5)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)OCC5CC5)C(=O)O

InChI

InChI=1S/C28H26N2O4/c1-18(31)29-22-8-5-7-21(15-22)26-24-10-2-3-11-25(24)30(27(26)28(32)33)16-20-6-4-9-23(14-20)34-17-19-12-13-19/h2-11,14-15,19H,12-13,16-17H2,1H3,(H,29,31)(H,32,33)