methyl (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)allyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)allyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C34H33NO5 MolecularWeight: 535.62952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)N(CC=CC1=CC(=CC=C1)OC2=CC=CC=C2)CC=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H](N(C/C=C/C1=CC(=CC=C1)OC2=CC=CC=C2)C/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4)CO

InChI

InChI=1S/C34H33NO5/c1-38-34(37)33(26-36)35(22-10-14-27-12-8-20-31(24-27)39-29-16-4-2-5-17-29)23-11-15-28-13-9-21-32(25-28)40-30-18-6-3-7-19-30/h2-21,24-25,33,36H,22-23,26H2,1H3/b14-10+,15-11+/t33-/m0/s1