2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]-3-[2-(2-methylpropyl)-1H-indol-3-yl]propanoic acid; piperidine-1-carboxamide

Systemtic Name: 2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]-3-[2-(2-methylpropyl)-1H-indol-3-yl]propanoic acid; piperidine-1-carboxamide Openeye Name: 3-(2-isobutyl-1H-indol-3-yl)-2-[(4-methoxy-4-oxo-butanoyl)amino]propanoic acid; piperidine-1-carboxamide CAS Name: 2-[(4-methoxy-1,4-dioxobutyl)amino]-3-[2-(2-methylpropyl)-1H-indol-3-yl]propanoic acid; 1-piperidinecarboxamide IUPAC Name: 2-[(4-methoxy-4-oxobutanoyl)amino]-3-[2-(2-methylpropyl)-1H-indol-3-yl]propanoic acid; piperidine-1-carboxamide Traditional Name: 3-(2-isobutyl-1H-indol-3-yl)-2-[(4-keto-4-methoxy-butanoyl)amino]propionic acid; piperidine-1-carboxamide Formula: C26H38N4O6 MolecularWeight: 502.60312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C2=CC=CC=C2N1)CC(C(=O)O)NC(=O)CCC(=O)OC.C1CCN(CC1)C(=O)N

Isomeric SMILES

CC(C)CC1=C(C2=CC=CC=C2N1)CC(C(=O)O)NC(=O)CCC(=O)OC.C1CCN(CC1)C(=O)N

InChI

InChI=1S/C20H26N2O5.C6H12N2O/c1-12(2)10-16-14(13-6-4-5-7-15(13)21-16)11-17(20(25)26)22-18(23)8-9-19(24)27-3;7-6(9)8-4-2-1-3-5-8/h4-7,12,17,21H,8-11H2,1-3H3,(H,22,23)(H,25,26);1-5H2,(H2,7,9)