methyl 4-[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[2-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[2-[(3-amino-3-oxo-propyl)-benzyl-amino]-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-2-oxoethoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-[(3-amino-3-keto-propyl)-benzyl-amino]-2-keto-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6/c1-27-18-12-16(21(26)28-2)8-9-17(18)29-14-20(25)23(11-10-19(22)24)13-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H2,22,24)