2-diethylaminoethyl 4-[[2-[bis(azanyl)methylideneamino]-3-naphthalen-2-yl-propanoyl]amino]-3-butoxy-benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[2-[bis(azanyl)methylideneamino]-3-naphthalen-2-yl-propanoyl]amino]-3-butoxy-benzoate Openeye Name: 2-diethylaminoethyl 3-butoxy-4-[[2-guanidino-3-(2-naphthyl)propanoyl]amino]benzoate CAS Name: 3-butoxy-4-[[2-(diaminomethylideneamino)-3-(2-naphthalenyl)-1-oxopropyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-butoxy-4-[[2-(diaminomethylideneamino)-3-naphthalen-2-ylpropanoyl]amino]benzoate Traditional Name: 3-butoxy-4-[[2-guanidino-3-(2-naphthyl)propanoyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C31H41N5O4 MolecularWeight: 547.68834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)N=C(N)N

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)OCCN(CC)CC)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)N=C(N)N

InChI

InChI=1S/C31H41N5O4/c1-4-7-17-39-28-21-25(30(38)40-18-16-36(5-2)6-3)14-15-26(28)34-29(37)27(35-31(32)33)20-22-12-13-23-10-8-9-11-24(23)19-22/h8-15,19,21,27H,4-7,16-18,20H2,1-3H3,(H,34,37)(H4,32,33,35)