ditert-butyl (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]butanedioate

Systemtic Name: ditert-butyl (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]butanedioate Openeye Name: ditert-butyl (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)allyl]amino]butanedioate CAS Name: (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]butanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)prop-2-enyl]amino]butanedioate Traditional Name: (2S)-2-[bis[(E)-3-(3-phenoxyphenyl)allyl]amino]succinic acid ditert-butyl ester Formula: C42H47NO6 MolecularWeight: 661.82568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(OC(=O)C[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)C(=O)OC(C)(C)C)(C)C

InChI

InChI=1S/C42H47NO6/c1-41(2,3)48-39(44)31-38(40(45)49-42(4,5)6)43(27-15-19-32-17-13-25-36(29-32)46-34-21-9-7-10-22-34)28-16-20-33-18-14-26-37(30-33)47-35-23-11-8-12-24-35/h7-26,29-30,38H,27-28,31H2,1-6H3/b19-15+,20-16+/t38-/m0/s1