methyl 2-[[5-methyl-4-[4-(methylamino)butoxy]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[5-methyl-4-[4-(methylamino)butoxy]-2-oxidanyl-phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-hydroxy-5-methyl-4-[4-(methylamino)butoxy]benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-hydroxy-5-methyl-4-[4-(methylamino)butoxy]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-hydroxy-5-methyl-4-[4-(methylamino)butoxy]benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-hydroxy-5-methyl-4-[4-(methylamino)butoxy]benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)O)OCCCCNC

Isomeric SMILES

CC1=C(C=C(C(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)O)OCCCCNC

InChI

InChI=1S/C23H30N2O5/c1-16-13-18(20(26)15-21(16)30-12-8-7-11-24-2)22(27)25-19(23(28)29-3)14-17-9-5-4-6-10-17/h4-6,9-10,13,15,19,24,26H,7-8,11-12,14H2,1-3H3,(H,25,27)