5-azulen-1-yl-3-[[3-(4-ethoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]pentanoic acid

Systemtic Name: 5-azulen-1-yl-3-[[3-(4-ethoxyphenyl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]pentanoic acid Openeye Name: 5-azulen-1-yl-3-[[1-[(4-ethoxyphenyl)methyl]-2-(methylamino)-2-oxo-ethyl]carbamoyl]pentanoic acid CAS Name: 5-(1-azulenyl)-3-[[[3-(4-ethoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]amino]-oxomethyl]pentanoic acid IUPAC Name: 5-azulen-1-yl-3-[[3-(4-ethoxyphenyl)-1-(methylamino)-1-oxopropan-2-yl]carbamoyl]pentanoic acid Traditional Name: 5-azulen-1-yl-3-[[1-(4-ethoxybenzyl)-2-keto-2-(methylamino)ethyl]carbamoyl]valeric acid Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)NC)NC(=O)C(CCC2=C3C=CC=CC=C3C=C2)CC(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C(=O)NC)NC(=O)C(CCC2=C3C=CC=CC=C3C=C2)CC(=O)O

InChI

InChI=1S/C28H32N2O5/c1-3-35-23-15-9-19(10-16-23)17-25(28(34)29-2)30-27(33)22(18-26(31)32)14-13-21-12-11-20-7-5-4-6-8-24(20)21/h4-12,15-16,22,25H,3,13-14,17-18H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)