ethyl 2-[[7-cyano-1-(phenylmethyl)indol-2-yl]carbonyl-(1,1-diethoxy-3-methyl-butan-2-yl)amino]ethanoate

Systemtic Name: ethyl 2-[[7-cyano-1-(phenylmethyl)indol-2-yl]carbonyl-(1,1-diethoxy-3-methyl-butan-2-yl)amino]ethanoate Openeye Name: ethyl 2-[(1-benzyl-7-cyano-indole-2-carbonyl)-[1-(diethoxymethyl)-2-methyl-propyl]amino]acetate CAS Name: 2-[[[7-cyano-1-(phenylmethyl)-2-indolyl]-oxomethyl]-(1,1-diethoxy-3-methylbutan-2-yl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzyl-7-cyanoindole-2-carbonyl)-(1,1-diethoxy-3-methylbutan-2-yl)amino]acetate Traditional Name: 2-[(1-benzyl-7-cyano-indole-2-carbonyl)-[1-(diethoxymethyl)-2-methyl-propyl]amino]acetic acid ethyl ester Formula: C30H37N3O5 MolecularWeight: 519.63188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C(C)C)N(CC(=O)OCC)C(=O)C1=CC2=CC=CC(=C2N1CC3=CC=CC=C3)C#N)OCC

Isomeric SMILES

CCOC(C(C(C)C)N(CC(=O)OCC)C(=O)C1=CC2=CC=CC(=C2N1CC3=CC=CC=C3)C#N)OCC

InChI

InChI=1S/C30H37N3O5/c1-6-36-26(34)20-33(27(21(4)5)30(37-7-2)38-8-3)29(35)25-17-23-15-12-16-24(18-31)28(23)32(25)19-22-13-10-9-11-14-22/h9-17,21,27,30H,6-8,19-20H2,1-5H3