ethyl (E)-3-[3-[1-azanyl-3,3-dimethyl-1-oxidanylidene-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-[1-azanyl-3,3-dimethyl-1-oxidanylidene-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-[1-carbamoyl-2,2-dimethyl-1-(9H-xanthen-9-yl)propyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-[1-amino-3,3-dimethyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[1-amino-3,3-dimethyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-[1-carbamoyl-2,2-dimethyl-1-(9H-xanthen-9-yl)propyl]phenyl]acrylic acid ethyl ester Formula: C30H31NO4 MolecularWeight: 469.57144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC=C1)C(C2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)N)C(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC=C1)C(C2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)N)C(C)(C)C

InChI

InChI=1S/C30H31NO4/c1-5-34-26(32)18-17-20-11-10-12-21(19-20)30(28(31)33,29(2,3)4)27-22-13-6-8-15-24(22)35-25-16-9-7-14-23(25)27/h6-19,27H,5H2,1-4H3,(H2,31,33)/b18-17+