methyl 2-[2-azanylpropanoyl(phenyl)amino]-2-ethanoyl-4-methyl-3-(7-nitro-2,3-dihydro-1-benzofuran-3-yl)pentanoate

Systemtic Name: methyl 2-[2-azanylpropanoyl(phenyl)amino]-2-ethanoyl-4-methyl-3-(7-nitro-2,3-dihydro-1-benzofuran-3-yl)pentanoate Openeye Name: methyl 2-acetyl-2-[N-(2-aminopropanoyl)anilino]-4-methyl-3-(7-nitro-2,3-dihydrobenzofuran-3-yl)pentanoate CAS Name: 2-acetyl-2-(N-(2-amino-1-oxopropyl)anilino)-4-methyl-3-(7-nitro-2,3-dihydrobenzofuran-3-yl)pentanoic acid methyl ester IUPAC Name: methyl 2-acetyl-2-[N-(2-aminopropanoyl)anilino]-4-methyl-3-(7-nitro-2,3-dihydro-1-benzofuran-3-yl)pentanoate Traditional Name: 2-acetyl-2-(N-alanylanilino)-4-methyl-3-(7-nitrocoumaran-3-yl)valeric acid methyl ester Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1COC2=C1C=CC=C2[N+](=O)[O-])C(C(=O)C)(C(=O)OC)N(C3=CC=CC=C3)C(=O)C(C)N

Isomeric SMILES

CC(C)C(C1COC2=C1C=CC=C2[N+](=O)[O-])C(C(=O)C)(C(=O)OC)N(C3=CC=CC=C3)C(=O)C(C)N

InChI

InChI=1S/C26H31N3O7/c1-15(2)22(20-14-36-23-19(20)12-9-13-21(23)29(33)34)26(17(4)30,25(32)35-5)28(24(31)16(3)27)18-10-7-6-8-11-18/h6-13,15-16,20,22H,14,27H2,1-5H3