2-diethylaminoethyl 4-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-butoxy-benzoate dihydrochloride

Systemtic Name: 2-diethylaminoethyl 4-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-3-butoxy-benzoate dihydrochloride Openeye Name: 2-diethylaminoethyl 4-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-butoxy-benzoate dihydrochloride CAS Name: 4-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-3-butoxybenzoic acid 2-diethylaminoethyl ester dihydrochloride IUPAC Name: 2-diethylaminoethyl 4-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-butoxybenzoate dihydrochloride Traditional Name: 4-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-3-butoxy-benzoic acid 2-diethylaminoethyl ester dihydrochloride Formula: C26H39Cl2N3O4 MolecularWeight: 528.51156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC=CC=C2)N.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O4.2ClH/c1-4-7-16-32-24-19-21(26(31)33-17-15-29(5-2)6-3)13-14-23(24)28-25(30)22(27)18-20-11-9-8-10-12-20;;/h8-14,19,22H,4-7,15-18,27H2,1-3H3,(H,28,30);2*1H/t22-;;/m1../s1