methylcarbamoyl 3-[(2,6-dimethoxy-4-methyl-phenyl)-(3-methylbutyl)amino]-2-indol-1-yl-3-oxidanylidene-propanoate

Systemtic Name: methylcarbamoyl 3-[(2,6-dimethoxy-4-methyl-phenyl)-(3-methylbutyl)amino]-2-indol-1-yl-3-oxidanylidene-propanoate Openeye Name: methylcarbamoyl 2-indol-1-yl-3-(N-isopentyl-2,6-dimethoxy-4-methyl-anilino)-3-oxo-propanoate CAS Name: 3-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-(1-indolyl)-3-oxopropanoic acid methylcarbamoyl ester IUPAC Name: methylcarbamoyl 3-[2,6-dimethoxy-4-methyl-N-(3-methylbutyl)anilino]-2-indol-1-yl-3-oxopropanoate Traditional Name: 2-indol-1-yl-3-(N-isoamyl-2,6-dimethoxy-4-methyl-anilino)-3-keto-propionic acid methylcarbamoyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)N(CCC(C)C)C(=O)C(C(=O)OC(=O)NC)N2C=CC3=CC=CC=C32)OC

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)N(CCC(C)C)C(=O)C(C(=O)OC(=O)NC)N2C=CC3=CC=CC=C32)OC

InChI

InChI=1S/C27H33N3O6/c1-17(2)11-13-30(23-21(34-5)15-18(3)16-22(23)35-6)25(31)24(26(32)36-27(33)28-4)29-14-12-19-9-7-8-10-20(19)29/h7-10,12,14-17,24H,11,13H2,1-6H3,(H,28,33)