methyl 3-[[(2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[(2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C23H28N2O5/c1-6-30-18-11-9-16(10-12-18)21(26)25-20(14(2)3)22(27)24-19-13-17(23(28)29-5)8-7-15(19)4/h7-14,20H,6H2,1-5H3,(H,24,27)(H,25,26)/t20-/m0/s1