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

Systemtic Name: ethyl (E)-3-[2-[1-azanyl-3-methyl-1-oxidanylidene-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-[1-carbamoyl-2-methyl-1-(9H-xanthen-9-yl)propyl]phenyl]prop-2-enoate CAS Name: (E)-3-[2-[1-amino-3-methyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[1-amino-3-methyl-1-oxo-2-(9H-xanthen-9-yl)butan-2-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-[1-carbamoyl-2-methyl-1-(9H-xanthen-9-yl)propyl]phenyl]acrylic acid ethyl ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=CC=C1C(C2C3=CC=CC=C3OC4=CC=CC=C24)(C(C)C)C(=O)N

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=CC=C1C(C2C3=CC=CC=C3OC4=CC=CC=C24)(C(C)C)C(=O)N

InChI

InChI=1S/C29H29NO4/c1-4-33-26(31)18-17-20-11-5-8-14-23(20)29(19(2)3,28(30)32)27-21-12-6-9-15-24(21)34-25-16-10-7-13-22(25)27/h5-19,27H,4H2,1-3H3,(H2,30,32)/b18-17+