methyl (2S)-2-[[4-[3-(dimethylaminomethyl)-2-oxidanyl-naphthalen-1-yl]-3-oxidanyl-naphthalen-2-yl]methylamino]propanoate

Systemtic Name: methyl (2S)-2-[[4-[3-(dimethylaminomethyl)-2-oxidanyl-naphthalen-1-yl]-3-oxidanyl-naphthalen-2-yl]methylamino]propanoate Openeye Name: methyl (2S)-2-[[4-[3-(dimethylaminomethyl)-2-hydroxy-1-naphthyl]-3-hydroxy-2-naphthyl]methylamino]propanoate CAS Name: (2S)-2-[[4-[3-(dimethylaminomethyl)-2-hydroxy-1-naphthalenyl]-3-hydroxy-2-naphthalenyl]methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[3-(dimethylaminomethyl)-2-hydroxynaphthalen-1-yl]-3-hydroxynaphthalen-2-yl]methylamino]propanoate Traditional Name: (2S)-2-[[4-[3-(dimethylaminomethyl)-2-hydroxy-1-naphthyl]-3-hydroxy-2-naphthyl]methylamino]propionic acid methyl ester Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NCC1=CC2=CC=CC=C2C(=C1O)C3=C(C(=CC4=CC=CC=C43)CN(C)C)O

Isomeric SMILES

C[C@@H](C(=O)OC)NCC1=CC2=CC=CC=C2C(=C1O)C3=C(C(=CC4=CC=CC=C43)CN(C)C)O

InChI

InChI=1S/C28H30N2O4/c1-17(28(33)34-4)29-15-20-13-18-9-5-7-11-22(18)24(26(20)31)25-23-12-8-6-10-19(23)14-21(27(25)32)16-30(2)3/h5-14,17,29,31-32H,15-16H2,1-4H3/t17-/m0/s1