3-cyclohexyl-2-(furan-3-yl)-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-2-(furan-3-yl)-1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]indole-6-carboxylic acid Openeye Name: 1-[2-(benzylamino)-2-oxo-ethyl]-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-2-(3-furanyl)-1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-6-indolecarboxylic acid IUPAC Name: 1-[2-(benzylamino)-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]-3-cyclohexyl-2-(3-furyl)indole-6-carboxylic acid Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)NCC4=CC=CC=C4)C5=COC=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)NCC4=CC=CC=C4)C5=COC=C5

InChI

InChI=1S/C28H28N2O4/c31-25(29-16-19-7-3-1-4-8-19)17-30-24-15-21(28(32)33)11-12-23(24)26(20-9-5-2-6-10-20)27(30)22-13-14-34-18-22/h1,3-4,7-8,11-15,18,20H,2,5-6,9-10,16-17H2,(H,29,31)(H,32,33)