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

Systemtic Name: 1-[(2-aminophenyl)methyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Openeye Name: 1-[(2-aminophenyl)methyl]-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid CAS Name: 1-[(2-aminophenyl)methyl]-3-cyclohexyl-2-(3-furanyl)-6-indolecarboxylic acid IUPAC Name: 1-[(2-aminophenyl)methyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Traditional Name: 1-(2-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=C4N)C5=COC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4N)C5=COC=C5

InChI

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