ethyl 3-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]propanoate

Systemtic Name: ethyl 3-[4-tert-butyl-3-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]propanoate Openeye Name: ethyl 3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]propanoate CAS Name: 3-[4-tert-butyl-3-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]propanoate Traditional Name: 3-[4-tert-butyl-3-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]propionic acid ethyl ester Formula: C30H33NO4 MolecularWeight: 471.58732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)C(C)(C)C)NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C30H33NO4/c1-5-34-29(33)17-15-20-14-16-24(30(2,3)4)25(18-20)31-28(32)19-23-21-10-6-8-12-26(21)35-27-13-9-7-11-22(23)27/h6-14,16,18,23H,5,15,17,19H2,1-4H3,(H,31,32)