1-[(3-aminophenyl)methyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid

Systemtic Name: 1-[(3-aminophenyl)methyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Openeye Name: 1-[(3-aminophenyl)methyl]-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid CAS Name: 1-[(3-aminophenyl)methyl]-3-cyclohexyl-2-(3-furanyl)-6-indolecarboxylic acid IUPAC Name: 1-[(3-aminophenyl)methyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Traditional Name: 1-(3-aminobenzyl)-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC(=CC=C4)N)C5=COC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC(=CC=C4)N)C5=COC=C5

InChI

InChI=1S/C26H26N2O3/c27-21-8-4-5-17(13-21)15-28-23-14-19(26(29)30)9-10-22(23)24(18-6-2-1-3-7-18)25(28)20-11-12-31-16-20/h4-5,8-14,16,18H,1-3,6-7,15,27H2,(H,29,30)