methyl 4-[[(2R)-2-azanyl-3-naphthalen-2-yl-propanoyl]amino]-3-butoxy-benzoate hydrochloride

Systemtic Name: methyl 4-[[(2R)-2-azanyl-3-naphthalen-2-yl-propanoyl]amino]-3-butoxy-benzoate hydrochloride Openeye Name: methyl 4-[[(2R)-2-amino-3-(2-naphthyl)propanoyl]amino]-3-butoxy-benzoate hydrochloride CAS Name: 4-[[(2R)-2-amino-3-(2-naphthalenyl)-1-oxopropyl]amino]-3-butoxybenzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-butoxybenzoate hydrochloride Traditional Name: 4-[[(2R)-2-amino-3-(2-naphthyl)propanoyl]amino]-3-butoxy-benzoic acid methyl ester hydrochloride Formula: C25H29ClN2O4 MolecularWeight: 456.96176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OC)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)N.Cl

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OC)NC(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)N.Cl

InChI

InChI=1S/C25H28N2O4.ClH/c1-3-4-13-31-23-16-20(25(29)30-2)11-12-22(23)27-24(28)21(26)15-17-9-10-18-7-5-6-8-19(18)14-17;/h5-12,14,16,21H,3-4,13,15,26H2,1-2H3,(H,27,28);1H/t21-;/m1./s1