2-(2,5-dimethyl-6-oxidanyl-3,4-dihydrobenzo[h]chromen-2-yl)ethyl (E)-3-[4-[bis(azanyl)methylideneamino]phenyl]prop-2-enoate

Systemtic Name: 2-(2,5-dimethyl-6-oxidanyl-3,4-dihydrobenzo[h]chromen-2-yl)ethyl (E)-3-[4-[bis(azanyl)methylideneamino]phenyl]prop-2-enoate Openeye Name: 2-(6-hydroxy-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-2-yl)ethyl (E)-3-(4-guanidinophenyl)prop-2-enoate CAS Name: (E)-3-[4-(diaminomethylideneamino)phenyl]-2-propenoic acid 2-(6-hydroxy-2,5-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-2-yl)ethyl ester IUPAC Name: 2-(6-hydroxy-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-2-yl)ethyl (E)-3-[4-(diaminomethylideneamino)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-guanidinophenyl)acrylic acid 2-(6-hydroxy-2,5-dimethyl-3,4-dihydrobenzo[h]chromen-2-yl)ethyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)CCOC(=O)C=CC4=CC=C(C=C4)N=C(N)N)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)CCOC(=O)/C=C/C4=CC=C(C=C4)N=C(N)N)O

InChI

InChI=1S/C27H29N3O4/c1-17-20-13-14-27(2,34-25(20)22-6-4-3-5-21(22)24(17)32)15-16-33-23(31)12-9-18-7-10-19(11-8-18)30-26(28)29/h3-12,32H,13-16H2,1-2H3,(H4,28,29,30)/b12-9+