methyl 3-[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxidanylidene-1,3,4-benzotriazepin-3-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-keto-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid methyl ester Formula: C28H34N4O5 MolecularWeight: 506.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)OC)C4CCCCC4

Isomeric SMILES

CCOCCN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)OC)C4CCCCC4

InChI

InChI=1S/C28H34N4O5/c1-3-37-17-16-31-24-15-8-7-14-23(24)26(20-10-5-4-6-11-20)30-32(28(31)35)19-25(33)29-22-13-9-12-21(18-22)27(34)36-2/h7-9,12-15,18,20H,3-6,10-11,16-17,19H2,1-2H3,(H,29,33)